data_1m7k_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 1m7k _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 379' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.582 0.23 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 383' ' ' ILE . 2.2 tp -37.59 -32.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -52.35 -38.46 58.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -57.76 6.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.299 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 380' ' ' ILE . 1.2 pp -55.84 -32.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.812 0.339 . . . . 0.0 111.022 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 30.0 mt -67.72 -50.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -56.19 -54.43 45.24 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.8 -35.66 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.462 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.05 -50.21 74.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.057 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.47 -45.09 94.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.948 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -45.92 84.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.03 -34.75 68.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.294 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.53 -54.46 45.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -56.09 -45.52 79.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.853 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.943 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.33 -49.57 75.7 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.747 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.566 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.32 -55.78 24.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.4 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 398' ' ' GLU . 28.8 m -56.11 -36.92 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 397' ' ' VAL . 0.6 OUTLIER -63.37 -41.63 98.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.979 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.86 -4.8 58.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.8 t80 -41.08 127.36 2.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.828 0.346 . . . . 0.0 111.282 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 9.1 p -43.86 -45.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.488 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 115.72 25.45 3.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.17 124.35 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CG ' ' CD2' ' A' ' 409' ' ' TYR . 7.0 ttpt -61.74 -15.64 42.6 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.6 p -72.7 -21.68 61.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.05 147.2 45.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.442 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 9.6 tttp -62.6 -25.95 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.97 62.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.497 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 9.5 t80 -59.11 -38.55 79.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 48.9 m0 -58.05 -61.26 2.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.151 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.94 -27.56 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.6 mt -58.84 -68.37 0.27 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.12 -38.07 87.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 37.2 tpp -59.1 -38.83 80.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 393' ' ' LEU . 0.3 OUTLIER -63.35 -46.06 88.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.735 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.1 m -60.08 -50.19 74.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.8 -43.67 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.69 -50.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.32 -31.51 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.34 -29.49 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.35 -22.82 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 5.1 m -96.05 37.96 1.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.0 p -87.1 141.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -108.3 105.68 15.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 9.1 t -98.36 -47.32 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.94 43.98 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 102.25 58.43 0.78 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.585 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -124.9 121.15 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.66 -44.25 93.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -56.49 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.65 -35.09 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -59.98 -58.6 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.68 -47.56 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.41 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -63.1 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -57.59 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -47.58 81.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.9 -42.28 89.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.38 77.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 15.5 t -60.23 -39.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.23 -47.37 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -61.99 -62.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 1.9 pp -48.5 -48.1 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.82 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.59 -30.24 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.032 0.444 . . . . 0.0 109.93 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.53 58.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 449' ' ' LEU . 14.7 tt -64.66 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.841 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.405 ' N ' HG21 ' A' ' 448' ' ' ILE . 1.2 tp -63.19 -49.07 75.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.586 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -43.08 96.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -60.31 -44.16 95.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 409' ' ' TYR . 3.8 mt -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.16 -42.73 86.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -66.25 -36.23 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -97.26 25.05 5.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.47 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.633 0.254 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -43.24 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 0.0 111.338 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -40.11 77.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -55.96 20.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 46.7 pt -57.26 -36.25 51.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 33.2 mt -65.8 -48.37 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.463 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -56.88 -53.02 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 23.1 m -58.75 -39.24 76.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.744 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.97 -54.43 46.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -42.47 83.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -47.33 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.98 -39.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.55 -55.63 29.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.1 -38.82 77.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.759 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.59 -44.41 94.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.043 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.28 -49.71 71.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.993 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.81 -42.32 88.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.729 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.25 -35.8 80.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.083 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.89 -47.33 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.307 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.95 -38.31 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.21 -16.9 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.484 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 86.8 t80 -47.59 122.58 4.94 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.76 -43.08 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 116.39 18.3 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.711 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -148.1 158.88 44.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.338 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.41 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.2 ttmm -90.55 47.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.1 m -116.36 -30.97 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -85.33 168.79 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -74.88 -15.2 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.64 -56.92 10.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.484 ' HB2' ' HE1' ' A' ' 400' ' ' PHE . 4.2 t80 -56.67 -38.92 72.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.436 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -56.49 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -60.91 -30.17 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.36 -70.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.46 -31.57 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -68.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.3 ptp -62.2 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.6 -57.53 12.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 26.8 m -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -42.25 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 3.1 pp -56.62 -39.48 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 32.2 tp -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.641 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 441' ' ' ALA . 6.6 tt -61.98 -46.37 89.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.805 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -55.51 -21.77 18.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.218 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 58.0 m -94.8 25.75 3.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.353 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.7 p -82.01 124.71 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.84 74.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 m -98.08 83.05 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.28 -67.23 2.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.579 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -162.41 47.31 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -97.85 126.74 43.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.46 -44.58 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -49.73 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.97 -35.07 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.52 26.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.07 -42.11 84.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.341 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.63 78.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -63.56 -56.17 18.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.434 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.566 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 9.5 ttpt -60.2 -35.93 76.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.342 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.66 -42.77 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.407 ' CB ' ' CD1' ' A' ' 423' ' ' LEU . . . -65.86 -58.14 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.566 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 11.3 m -47.6 -44.59 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.936 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.89 -42.83 89.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.177 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -65.38 -58.17 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.868 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 442' ' ' VAL . 2.5 pp -51.56 -46.64 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.572 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -68.93 -33.5 73.84 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.92 -51.34 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.548 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.45 -38.16 81.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.561 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.17 -50.66 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.454 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.66 -43.69 97.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -58.75 -43.18 90.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -46.25 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.96 -40.85 85.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -68.57 -41.25 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -73.65 -35.01 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.452 -1.194 . . . . 0.0 112.561 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.584 0.231 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -32.87 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -31.83 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -67.25 -54.76 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 384' ' ' ILE . 5.6 pt -59.67 -30.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . 0.453 ' N ' HG13 ' A' ' 383' ' ' ILE . 18.6 mt -70.58 -51.58 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.96 -51.76 67.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.92 -41.01 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.65 -54.49 37.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.649 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.06 -47.09 87.33 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.361 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -46.1 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.4 -40.35 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.361 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.47 -52.15 66.55 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.092 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.849 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.12 98.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.92 -50.52 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.955 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.4 -42.45 82.25 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.872 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -37.64 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.99 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.41 -47.7 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.342 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.33 -37.16 86.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.383 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.81 -12.71 57.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.208 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 57.9 t80 -43.56 138.9 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.876 0.37 . . . . 0.0 111.18 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.82 -47.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 136.25 -44.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.711 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -108.45 157.2 18.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -76.68 60.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 4.8 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.71 155.27 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 11.3 tttt -62.6 -18.45 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.79 -61.64 2.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.373 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.428 ' CD1' HD22 ' A' ' 452' ' ' LEU . 2.6 t80 -49.87 -39.75 40.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.435 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.6 m0 -57.74 -63.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.162 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.53 -25.64 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.1 mt -59.6 -65.39 0.68 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.88 -36.39 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.908 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.2 -57.36 13.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.0 tpp -59.68 -39.66 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.23 -50.88 71.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 22.3 p -58.67 -46.76 86.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -51.33 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.58 -41.16 85.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.43 -51.36 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.66 -32.22 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.35 -58.06 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.59 -20.93 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.266 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 25.0 p -93.72 38.02 1.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.757 0.313 . . . . 0.0 111.337 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.25 136.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.074 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.16 116.84 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 10.0 t -136.79 31.38 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.06 49.79 3.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 138.43 44.82 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -155.28 109.5 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.27 -31.17 67.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -62.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.87 -32.13 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -59.31 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.553 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.04 83.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.413 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -63.97 -36.39 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.758 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -54.58 43.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.504 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -59.95 -42.89 95.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.1 -46.17 91.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.502 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.77 93.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 445' ' ' ILE . 27.3 t -63.5 -41.34 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.4 t -63.14 -45.25 92.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -60.96 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 442' ' ' VAL . 1.9 pp -49.34 -48.4 18.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.32 -31.96 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.875 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.74 -53.97 33.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.592 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.15 -39.02 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.561 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.92 -56.49 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.38 -35.06 74.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.09 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 409' ' ' TYR . 11.2 mt -67.8 -40.67 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.759 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -38.6 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -76.58 -37.07 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 25.06 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.449 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 383' ' ' ILE . 0.8 OUTLIER -75.08 -36.99 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.311 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -42.02 81.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -64.07 -55.08 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 380' ' ' ILE . 8.6 tp -58.38 -36.51 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.174 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 49.7 mt -64.88 -47.62 87.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.398 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -56.98 -54.16 49.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.445 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.89 -35.31 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.501 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.52 -49.51 77.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.109 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.98 -44.32 91.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.993 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.065 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.6 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -56.85 -51.71 67.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.837 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.3 -45.45 84.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.659 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -36.09 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.025 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.37 -42.55 99.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.9 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.37 -58.39 8.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.509 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 34.9 m -52.67 -36.93 23.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.622 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.27 -44.62 94.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -84.34 -4.57 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.936 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 84.6 t80 -41.2 136.38 1.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.374 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 3.8 p -45.82 -51.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.628 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 136.73 -35.07 2.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.667 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 154.06 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 9.6 tttm -82.14 55.97 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -8.8 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -104.04 155.2 18.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.733 0.302 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.429 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.9 OUTLIER -60.91 -19.35 60.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.26 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.22 -62.54 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.385 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 412' ' ' LEU . 6.5 t80 -52.37 -36.1 52.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.429 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.6 m0 -58.67 -63.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.272 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 1.1 pp -63.16 -27.21 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.2 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 12.4 mt -57.46 -71.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.365 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.01 -42.15 89.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.947 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.77 -55.73 28.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 tpp -58.18 -39.72 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.652 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.6 -53.49 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -46.58 80.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -46.74 84.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -45.75 89.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.17 -53.4 58.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.88 -30.86 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.17 -60.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.76 -29.39 68.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.017 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.26 -22.28 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.5 m -95.89 38.2 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.178 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.3 p -89.82 147.35 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.082 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -114.84 79.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 9.4 t -73.56 -47.98 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 53.54 24.37 23.89 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.572 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 103.72 98.83 2.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -165.56 122.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -45.67 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -55.38 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 35.7 t -58.14 -41.71 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -45.34 91.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.63 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.94 -53.41 57.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.452 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.01 72.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.597 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -62.43 -62.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.639 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -44.82 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.996 0.427 . . . . 0.0 110.831 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.88 -53.02 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.57 -47.19 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 43.4 t -55.17 -41.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.3 m -63.51 -50.25 70.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.269 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -57.28 -48.88 77.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 9.2 mt -55.49 -52.57 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.55 -28.34 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.931 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -70.53 -47.28 61.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.734 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.54 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.63 -54.74 23.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.589 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.45 -41.5 85.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.94 -46.55 89.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 409' ' ' TYR . 8.0 mt -59.89 -47.15 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.93 -42.48 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -52.91 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.768 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -67.49 -35.04 78.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.565 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.99 -46.71 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . 0.413 ' HG2' ' CE1' ' A' ' 385' ' ' HIS . 6.1 tttm -47.29 -32.77 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -66.95 -60.48 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.413 ' CD1' ' CB ' ' A' ' 441' ' ' ALA . 9.5 tp -57.39 -35.31 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.034 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.25 -47.92 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 110.48 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . 0.413 ' CE1' ' HG2' ' A' ' 381' ' ' LYS . 57.5 m170 -56.53 -53.72 54.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.336 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 m -59.43 -34.9 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -51.6 69.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.124 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -45.37 90.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.949 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -40.88 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.035 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.35 -39.89 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -52.54 65.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.02 -45.43 83.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.771 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -34.38 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.819 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.08 -49.2 78.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.877 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -39.53 92.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.775 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.0 -56.58 19.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.491 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.407 ' CG2' ' HG ' ' A' ' 452' ' ' LEU . 7.2 p -56.72 -35.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.399 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.048 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.26 -4.9 58.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.176 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 48.2 t80 -41.98 142.09 0.76 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.916 0.389 . . . . 0.0 111.334 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . 0.443 HG13 ' CE1' ' A' ' 400' ' ' PHE . 5.5 p -49.83 -48.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.478 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 135.76 -39.45 1.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.574 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -111.42 142.68 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 62.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.91 -31.16 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.61 158.55 24.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.442 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -57.54 -23.18 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.29 -64.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.227 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.469 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 23.6 t80 -47.59 -39.56 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.2 m0 -57.72 -64.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.315 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.96 -25.15 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.627 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 13.2 mt -59.57 -67.89 0.34 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.064 0.459 . . . . 0.0 110.49 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.05 -38.49 91.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.27 -54.98 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.5 tpp -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.694 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 10.2 mt -58.82 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.0 p -59.98 -43.53 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -57.79 -55.26 37.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -59.17 -36.83 75.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -53.36 58.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.21 -33.94 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.07 -60.29 4.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.71 -31.56 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -54.26 -24.97 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.99 37.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.31 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -96.13 97.21 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 46.2 m -135.92 97.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.66 28.58 12.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 145.55 61.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.584 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -132.89 116.47 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.38 -42.46 98.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.92 -38.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -53.54 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -58.23 -54.07 51.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -62.47 -55.67 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.1 OUTLIER -60.93 -37.37 82.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.344 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.31 -47.34 70.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.988 0.423 . . . . 0.0 110.114 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.413 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -67.14 -51.67 51.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 26.3 m -53.4 -44.99 56.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.41 -45.76 89.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -56.73 15.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.6 pt -52.63 -44.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 445' ' ' ILE . 28.5 mm-40 -71.13 -31.75 68.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.202 0.525 . . . . 0.0 109.813 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.32 69.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.508 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.95 -38.53 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.734 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.88 -50.79 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.6 -42.42 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.683 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -60.37 -39.12 86.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 409' ' ' TYR . 0.2 OUTLIER -72.29 -45.55 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -30.38 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -55.08 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -34.92 78.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -45.24 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 0.0 111.514 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -40.3 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.199 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -55.58 20.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 35.5 pt -56.28 -35.69 43.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.203 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 26.1 mt -66.66 -52.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.7 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -57.21 -56.08 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.98 -37.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.79 -52.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.22 -44.75 92.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -46.32 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.538 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 99.1 t -63.78 -38.27 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.2 -54.29 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 110.059 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.07 -44.58 87.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.94 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -38.18 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.165 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.05 -47.82 84.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.066 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -60.87 -44.28 97.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.223 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.39 -57.76 11.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 398' ' ' GLU . 9.7 p -54.4 -36.13 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.705 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 397' ' ' VAL . 0.0 OUTLIER -63.74 -41.56 98.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.377 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.36 -2.43 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.25 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 92.4 t80 -44.92 140.63 2.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 2.5 p -45.05 -57.71 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.812 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 141.97 -29.75 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.594 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -115.29 151.9 33.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.416 ' HE3' ' CE1' ' A' ' 409' ' ' TYR . 1.5 ttmp? -77.9 61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -30.98 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.194 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.98 149.94 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 4.1 mttt -59.86 -23.51 63.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.68 -45.82 58.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 26.3 t80 -60.86 -41.72 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.439 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 37.4 m0 -57.25 -57.26 13.4 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.89 -30.02 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.312 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 9.8 mt -55.95 -68.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 110.347 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.42 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.805 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.38 -56.51 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.0 mmt -56.45 -39.58 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.54 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 59.8 p -56.1 -43.91 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -54.82 -51.02 67.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -60.75 -42.99 98.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.42 -51.3 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.2 -41.75 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -29.52 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.17 -36.35 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.44 -20.0 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 71.1 m -71.89 -26.7 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.311 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.1 141.88 12.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.813 0.34 . . . . 0.0 111.164 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -116.04 99.1 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 9.8 t -92.32 75.96 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.55 70.51 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.693 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 106.48 -25.52 22.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.697 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -59.77 96.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.26 -36.83 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -53.71 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.69 -34.64 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.777 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -54.51 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.395 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -59.44 -49.77 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.33 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.42 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -64.27 -59.19 4.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.4 OUTLIER -57.54 -37.47 73.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.406 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.25 -40.6 94.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.1 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -55.27 14.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.541 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.9 m -50.31 -46.89 26.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.26 -43.48 94.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.305 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -54.88 30.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.2 pt -54.25 -44.51 65.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 445' ' ' ILE . 2.8 mt-30 -71.26 -30.82 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.59 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.755 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 449' ' ' LEU . 11.2 tt -67.9 -42.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.923 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.404 ' N ' HG23 ' A' ' 448' ' ' ILE . 0.5 OUTLIER -63.98 -48.42 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.54 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -59.86 -37.96 80.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 409' ' ' TYR . 0.1 OUTLIER -63.86 -49.33 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.48 -40.96 93.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -67.94 -42.54 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -35.04 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.508 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.823 0.344 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.0 tt -77.02 -36.84 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -47.47 -47.73 27.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.127 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.41 92.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.409 HG21 ' HB3' ' A' ' 437' ' ' ALA . 5.4 mm -64.11 -34.0 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 16.5 mt -66.51 -45.29 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.27 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -60.33 -55.86 28.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.381 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.59 -36.03 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.33 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -61.15 -44.82 96.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -42.51 95.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.909 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.03 -37.5 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.321 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -61.16 -55.88 27.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.885 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -58.44 -42.33 87.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.815 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -39.69 94.09 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.949 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.19 -46.07 89.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.992 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.03 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.14 -59.07 6.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.498 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.81 -36.85 24.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.231 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.05 -2.16 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 81.8 t80 -43.52 120.9 2.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 111.272 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 8.8 p -46.29 -42.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.367 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 116.81 27.04 2.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.512 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -146.23 132.66 19.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -8.97 57.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.581 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 62.4 p -72.74 -28.09 62.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.657 0.265 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.5 162.31 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.442 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 11.9 ptpt -72.05 -25.68 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.88 25.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.486 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 5.4 t80 -57.37 -39.2 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.1 m0 -56.93 -65.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.991 0.424 . . . . 0.0 110.286 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.08 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.356 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 8.2 mt -55.76 -67.41 0.29 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -40.61 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.1 -57.25 13.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.755 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.5 mtt -58.86 -37.51 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 449' ' ' LEU . 0.1 OUTLIER -59.24 -55.47 34.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -43.05 89.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -55.35 -60.2 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -58.08 -34.98 70.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.72 -50.77 72.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.63 -41.97 95.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -64.63 -32.86 74.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.62 -52.38 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.5 -24.21 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 2.6 m -97.43 38.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.9 p -104.13 142.71 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 150.6 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.4 t -165.46 76.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -78.41 61.73 3.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.85 16.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -103.8 113.13 26.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -57.02 -32.47 66.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.6 p -58.95 -57.89 11.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.58 -27.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -38.73 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.338 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.409 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -65.9 -33.34 75.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.849 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -70.46 -57.02 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -55.12 -47.86 74.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.91 -44.46 94.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.248 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.61 96.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.8 -48.67 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.776 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.57 86.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.312 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -58.77 5.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 20.3 pt -50.82 -44.68 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.3 -33.21 69.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.17 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.636 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 448' ' ' ILE . 8.9 tt -65.47 -44.54 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.755 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -57.88 -51.67 68.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.519 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -44.11 92.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.19 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.622 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.44 -47.67 75.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.49 -37.99 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -77.98 -30.56 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -103.5 25.13 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.589 0.233 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 3.2 tt -43.24 -30.09 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.872 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -45.8 -58.55 3.41 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.966 0.412 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.44 -36.36 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 7.2 mt -68.54 -46.27 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.322 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.53 -56.97 14.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.336 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.18 -35.55 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.16 -49.97 75.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -58.7 -44.42 90.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.003 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.81 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.152 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.21 -38.36 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.304 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.95 -53.75 53.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.067 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.29 -44.15 88.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.776 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 448' ' ' ILE . 0.2 OUTLIER -60.41 -40.49 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.966 179.189 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.38 -49.47 77.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.954 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -56.71 -43.79 80.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.76 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.55 -38.36 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.996 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.21 -49.73 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.144 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.51 -36.02 75.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.192 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.25 -14.89 52.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.998 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.4 t80 -43.06 121.1 2.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.865 0.364 . . . . 0.0 111.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 9.9 p -44.71 -43.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.521 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.29 26.7 2.85 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.614 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.2 131.48 18.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -11.3 58.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.545 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.1 m -72.73 -24.34 60.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.732 0.301 . . . . 0.0 110.951 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -74.41 151.23 39.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 26.8 tttt -64.79 -23.67 67.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.38 -53.98 31.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.414 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.464 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 3.9 t80 -57.3 -40.23 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.426 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.9 m0 -57.03 -63.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.171 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.28 -31.62 71.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.0 mt -53.91 -67.54 0.25 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.71 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.14 -35.36 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.74 -64.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -43.57 77.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.03 -52.63 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 15.0 p -54.02 -46.96 71.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -58.59 -42.58 88.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -58.47 -47.74 83.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.6 -52.65 64.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.97 -29.74 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.52 -37.5 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.73 -27.21 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.81 -21.16 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 57.6 m -71.83 -18.45 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.7 p -56.01 140.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 111.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -108.91 121.23 44.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -123.74 102.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.33 28.85 11.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.415 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 117.13 35.03 1.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -104.28 122.86 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.84 -36.79 72.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -69.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.42 -23.77 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.266 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -64.04 -40.73 96.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.83 93.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -65.17 -56.07 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.0 -50.24 69.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.78 -36.25 83.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.05 -50.89 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.882 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.72 -40.17 81.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 51.6 t -64.53 -45.08 88.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -60.53 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.84 -47.71 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.351 . . . . 0.0 110.757 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -68.56 -30.87 69.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.09 0.471 . . . . 0.0 109.825 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.58 67.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.709 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 449' ' ' LEU . 14.3 tt -66.81 -39.19 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.406 ' N ' HG23 ' A' ' 448' ' ' ILE . 2.4 tp -64.23 -51.52 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.699 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -42.11 97.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -45.1 94.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.744 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -44.3 95.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.71 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -30.53 60.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.47 25.03 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.648 0.261 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 437' ' ' ALA . 6.8 tp -47.07 -27.72 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.743 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -53.06 12.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 17.7 mt -66.87 -40.5 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.951 0.405 . . . . 0.0 110.582 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 17.3 mt -66.82 -42.83 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.237 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.408 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.54 -38.13 73.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.428 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.0 -51.78 67.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.238 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.9 -44.67 91.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.206 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -42.13 81.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.079 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.87 -39.22 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.221 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -53.36 59.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -56.51 -48.83 76.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.165 0.507 . . . . 0.0 110.116 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 396' ' ' GLU . 0.2 OUTLIER -59.88 -41.59 91.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.974 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 397' ' ' VAL . 4.8 tt0 -57.74 -40.49 79.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.66 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.53 -55.65 16.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.584 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 393' ' ' LEU . 10.5 pt-20 -62.06 -50.79 70.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 394' ' ' GLU . 18.5 m -58.49 -37.25 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.91 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.29 -9.06 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.094 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 409' ' ' TYR . 9.9 t80 -46.46 158.75 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 111.302 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.92 -50.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 125.36 33.13 0.74 Allowed Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.863 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.05 133.61 55.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.77 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' A' ' 409' ' ' TYR . 7.4 ptmt -94.57 -21.85 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.499 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.2 t -72.94 -29.48 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.61 142.58 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.11 70.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.54 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.988 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.476 ' HB2' ' CE2' ' A' ' 400' ' ' PHE . 74.6 t80 -60.39 -31.43 70.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.108 0.48 . . . . 0.0 109.893 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -52.71 63.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.055 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -37.78 87.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.446 ' CD1' ' CD1' ' A' ' 400' ' ' PHE . 19.2 mt -51.44 -68.66 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.02 0.438 . . . . 0.0 110.202 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.43 -63.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -36.5 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 448' ' ' ILE . 20.6 mt -57.54 -57.94 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.776 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.9 m -57.43 -40.73 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.09 -53.54 56.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -39.84 87.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.93 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.07 -49.76 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -29.98 68.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.6 -52.85 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -22.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.733 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.4 m -86.94 38.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.608 0.242 . . . . 0.0 111.364 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.2 p -96.81 148.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.756 0.312 . . . . 0.0 110.978 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -102.9 122.63 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 4.6 t -131.82 -48.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.57 61.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 100.83 50.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -113.51 130.57 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.68 -39.23 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -54.58 -67.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.94 -25.25 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -58.58 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.519 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.21 -43.26 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 380' ' ' ILE . . . -60.83 -39.02 87.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -58.86 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -52.61 -49.79 64.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.69 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -62.81 -43.09 99.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -48.41 77.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.984 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 22.4 t -57.82 -46.4 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.33 -45.66 92.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.345 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.95 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.992 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 446' ' ' GLN . 27.5 pt -48.38 -44.71 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 445' ' ' ILE . 0.9 OUTLIER -69.79 -34.68 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.01 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.351 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.449 ' CG2' HD22 ' A' ' 416' ' ' LEU . 14.3 tt -62.14 -41.47 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -51.11 71.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.64 -42.98 94.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -57.56 -44.25 85.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.699 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 409' ' ' TYR . 8.2 mt -64.05 -46.35 84.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.81 -36.66 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -76.65 -32.28 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -32.16 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.9 tp -55.59 -39.61 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -52.77 -46.45 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -38.4 90.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.695 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 52.7 mt -67.28 -46.55 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 385' ' ' HIS . 32.9 pt -63.37 -39.39 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.384 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . 0.403 ' N ' HG13 ' A' ' 384' ' ' ILE . 5.3 m170 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.283 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.72 -33.53 49.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.3 -52.63 64.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.027 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -57.89 -43.61 86.19 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -40.92 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.78 -37.73 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.24 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -58.98 -53.44 58.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.993 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.41 -45.91 84.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.849 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 448' ' ' ILE . 0.3 OUTLIER -62.45 -34.6 77.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.56 -47.21 87.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.777 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.25 -40.32 97.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.754 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -54.89 40.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.402 ' CG1' ' CD2' ' A' ' 412' ' ' LEU . 28.2 m -58.72 -35.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.435 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -62.66 -40.25 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.935 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.57 -12.76 50.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.993 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.7 t80 -46.4 129.05 10.52 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.844 0.354 . . . . 0.0 110.977 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.07 -47.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.584 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 119.62 22.68 3.29 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.875 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 125.01 11.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.792 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.84 64.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.5 m -131.92 -31.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.311 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.68 161.42 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.7 OUTLIER -59.63 -20.5 56.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.83 9.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.482 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 6.2 t80 -58.18 -36.45 73.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.0 m0 -56.97 -64.69 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.176 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.335 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 12.6 mt -56.47 -68.91 0.17 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.31 -54.72 43.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 22.3 tpp -58.92 -40.63 85.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 449' ' ' LEU . 0.0 OUTLIER -58.8 -46.91 86.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 6.5 m -60.59 -51.01 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -55.24 -46.07 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.25 -43.01 96.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.85 -44.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -45.88 91.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.69 -44.6 93.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.95 -44.09 97.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.04 -20.24 37.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.409 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 60.2 p -94.38 38.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.262 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.5 p -103.73 140.08 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.98 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -98.3 73.84 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.5 t -53.11 -45.68 68.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 59.32 27.32 62.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.562 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.77 64.19 2.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.81 128.94 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -58.7 -48.45 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.7 m -56.04 -55.47 32.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.76 -29.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -55.36 35.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.253 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.97 -40.33 91.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.242 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.39 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.626 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -54.61 10.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.565 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -58.4 -47.71 83.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -63.75 -39.39 94.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.51 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.85 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 445' ' ' ILE . 12.9 p -60.23 -36.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 22.3 t -64.12 -39.03 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.971 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -55.19 22.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.796 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 442' ' ' VAL . 17.7 pt -53.75 -44.96 60.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 121.002 0.43 . . . . 0.0 110.58 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 445' ' ' ILE . 1.8 mm100 -71.41 -30.85 66.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.76 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.32 57.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.757 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 393' ' ' LEU . 17.8 tt -64.59 -46.72 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.009 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.411 ' CD1' ' HG ' ' A' ' 416' ' ' LEU . 4.0 tp -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.01 -49.98 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.309 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -38.79 82.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.396 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.49 -52.3 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -43.62 91.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.29 -34.98 77.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -101.31 25.15 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.436 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.646 0.26 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 2.0 tt -44.71 -27.76 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -44.97 -56.4 4.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -62.6 -34.74 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 -40.45 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.73 -43.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.291 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.86 -52.12 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.349 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.54 -37.72 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.38 -55.81 28.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -42.55 90.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . 0.405 ' CE ' ' CD1' ' A' ' 393' ' ' LEU . 1.2 tmtp? -58.5 -43.05 88.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.45 -39.87 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.16 -53.09 62.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -57.19 -54.22 49.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.405 ' CD1' ' CE ' ' A' ' 389' ' ' LYS . 0.0 OUTLIER -56.17 -39.77 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.36 -47.41 78.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -46.81 87.45 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.772 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -36.65 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.866 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.81 -48.37 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.168 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.52 -37.1 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.22 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -83.75 -13.36 54.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.201 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.6 t80 -44.57 130.3 6.8 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.878 0.371 . . . . 0.0 111.158 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 6.0 p -45.51 -47.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.371 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 119.14 19.51 4.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -148.14 131.28 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 61.79 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.9 t -127.19 -31.21 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.58 161.54 19.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.465 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.3 mptp? -61.15 -20.81 63.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.4 -66.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.467 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 6.3 t80 -50.17 -40.67 47.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.8 m0 -53.82 -65.32 0.59 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.33 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.425 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.8 mt -51.58 -71.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.34 -36.18 82.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -58.96 -65.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 27.3 mtp -58.56 -42.4 87.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.985 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.59 -52.29 66.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.002 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -57.59 -45.48 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.5 -37.47 70.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -49.1 77.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.661 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.96 -50.63 73.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.42 -30.01 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.08 -50.82 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.788 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.16 -22.03 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.643 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 24.0 p -89.9 38.15 0.91 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.504 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.9 p -86.77 155.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.979 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.05 113.75 27.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.4 t -126.68 -49.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 56.29 28.07 54.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 99.88 28.37 7.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 126.2 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.94 -37.55 74.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -69.08 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.4 -25.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -62.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.459 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.06 -43.07 96.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.545 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.45 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -69.9 -56.66 6.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -52.96 -48.35 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.01 0.433 . . . . 0.0 110.377 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.08 -46.87 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.63 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.1 m -62.84 -50.09 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -60.28 -62.06 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.045 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -48.23 -47.1 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.407 ' N ' ' CD1' ' A' ' 445' ' ' ILE . 1.9 tt0 -68.29 -30.79 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 0.0 109.817 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.32 -51.33 45.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.5 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.485 HG23 HD12 ' A' ' 448' ' ' ILE . 9.6 tt -62.84 -39.81 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.408 ' N ' HG21 ' A' ' 448' ' ' ILE . 4.3 tp -63.51 -47.45 81.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -40.31 93.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -61.47 -48.35 81.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 409' ' ' TYR . 15.2 mt -61.26 -42.93 99.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.45 -38.3 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.85 -44.38 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -73.46 -34.59 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.481 0.181 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 383' ' ' ILE . 1.0 OUTLIER -37.8 -33.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -46.62 -36.94 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -54.08 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.043 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 380' ' ' ILE . 1.0 OUTLIER -58.64 -30.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . 0.444 ' N ' HG13 ' A' ' 383' ' ' ILE . 26.3 mt -70.0 -53.29 24.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.321 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.52 -52.53 59.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.344 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.7 -37.48 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.403 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -51.37 64.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.298 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.99 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -48.08 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.74 -41.62 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.343 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -54.27 -53.63 51.07 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.084 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.07 -44.27 82.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.786 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -43.29 92.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.7 -48.24 78.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.017 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.28 -45.49 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.051 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.96 -45.8 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 28.2 t -54.27 -46.14 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.43 -40.87 98.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.368 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -80.3 -8.85 59.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.253 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 61.4 t80 -43.36 138.84 2.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 111.284 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.38 -47.22 26.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.556 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 137.4 -43.46 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.678 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 143.22 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.754 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 59.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.9 t -134.51 -0.07 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -104.19 161.2 14.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.446 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.12 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.42 ' CE1' HD13 ' A' ' 452' ' ' LEU . 13.9 t80 -45.92 -39.01 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 29.5 m0 -60.47 -64.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.073 0.463 . . . . 0.0 110.067 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 414' ' ' GLU . 3.8 pp -60.0 -25.38 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.545 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 12.3 mt -62.96 -55.16 28.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.74 -50.12 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.548 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 411' ' ' LEU . 11.9 pt-20 -54.89 -47.7 73.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' MET . . . . . 0.415 ' N ' ' CG ' ' A' ' 414' ' ' GLU . 5.0 tpp -65.25 -44.36 88.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.09 -49.22 78.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 p -58.98 -44.19 91.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.609 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -58.57 -46.34 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -50.56 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.78 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.66 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.93 -28.91 58.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.39 -39.49 92.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.1 -7.99 52.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.504 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 38.09 1.09 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.669 0.271 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.5 p -113.09 155.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -104.85 128.43 53.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.6 t -145.49 89.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -118.63 65.64 0.39 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 108.22 -26.44 16.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -59.14 108.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.17 -31.62 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 2.8 m -60.84 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.29 -28.61 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -60.69 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.359 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -58.11 -42.12 85.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.412 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -64.71 -38.0 89.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.67 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -60.86 -53.62 55.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -59.73 -47.16 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.54 -41.08 89.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.53 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.16 94.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.775 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.35 -45.7 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.515 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -62.78 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.1 pp -48.37 -47.16 14.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -32.13 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.24 -51.0 58.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.654 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 15.7 tt -64.49 -39.36 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.777 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.42 -49.87 75.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.432 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.4 -40.21 95.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.627 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 409' ' ' TYR . 2.7 tm? -64.99 -40.64 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.53 -41.8 95.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -33.94 62.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.48 25.1 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.478 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.535 0.207 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 383' ' ' ILE . 0.6 OUTLIER -38.09 -32.32 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -60.12 -48.57 81.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.42 . . . . 0.0 110.621 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -54.4 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 380' ' ' ILE . 8.9 tp -56.56 -37.13 50.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.6 -48.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.996 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -54.25 44.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.03 0.443 . . . . 0.0 110.409 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.73 -33.72 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.208 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -51.09 71.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.04 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 392' ' ' TYR . 0.8 OUTLIER -60.0 -45.85 91.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.867 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -44.29 78.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.21 -33.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.059 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -53.73 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.835 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . 0.412 ' CE2' ' HG2' ' A' ' 388' ' ' GLU . 21.3 m-85 -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.678 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -37.78 83.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.938 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.58 -45.11 95.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.938 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -42.74 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.972 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.78 -59.22 5.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.502 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.4 -37.94 24.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 110.678 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -89.2 -1.94 58.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 67.4 t80 -43.34 135.11 3.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.799 0.333 . . . . 0.0 111.386 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.5 p -52.2 -44.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.503 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 134.16 -31.76 2.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.873 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -109.63 140.47 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 57.65 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.5 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.2 161.5 25.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -21.9 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.29 -62.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.498 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 20.4 t80 -58.21 -30.76 66.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -65.12 0.7 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.303 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -26.38 68.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.378 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.4 mt -57.41 -61.46 2.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.333 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.75 -44.89 88.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.33 -55.94 28.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 30.0 tpp -59.17 -38.92 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.15 -44.88 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -44.62 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -59.55 -55.94 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.52 -39.49 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.53 -52.66 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.31 -40.23 81.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.727 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.77 -43.15 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.97 -38.96 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.87 -24.59 9.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.279 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.4 m -95.59 38.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.222 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -84.15 136.25 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -108.3 72.34 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.3 t -68.19 -47.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.36 40.18 93.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.565 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.35 64.28 3.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.547 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -126.0 136.29 52.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.58 -44.57 90.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p -59.04 -56.77 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.96 -31.94 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -61.2 -52.33 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.511 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.15 -50.34 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.3 93.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -60.53 -62.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -43.5 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.19 -53.35 58.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -59.27 -46.51 88.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.05 -39.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -45.4 84.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.366 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -62.64 -59.34 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.031 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.0 pp -51.11 -48.5 30.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.822 0.344 . . . . 0.0 110.725 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.62 -31.54 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.65 64.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.615 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 449' ' ' LEU . 14.1 tt -64.42 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.555 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.403 ' N ' HG21 ' A' ' 448' ' ' ILE . 1.0 OUTLIER -60.67 -55.34 34.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.36 -36.75 78.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -59.69 -46.2 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 8.4 mt -65.32 -45.77 82.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -60.56 -32.61 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.99 -48.3 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -67.01 -34.97 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.28 -1.289 . . . . 0.0 112.551 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.636 0.255 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.427 ' O ' HG13 ' A' ' 383' ' ' ILE . 0.7 OUTLIER -41.44 -31.5 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.815 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -45.74 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -54.54 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 384' ' ' ILE . 1.0 OUTLIER -60.98 -28.52 43.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . 0.44 ' N ' HG13 ' A' ' 383' ' ' ILE . 21.1 mt -71.62 -55.38 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -55.85 -42.05 75.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.338 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 32.2 t -66.39 -43.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.602 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.42 -50.61 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 392' ' ' TYR . 0.1 OUTLIER -61.94 -51.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 179.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -53.73 54.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.05 -33.21 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.42 -58.19 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.037 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 388' ' ' GLU . 7.7 m-85 -59.19 -47.94 83.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.881 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 448' ' ' ILE . 0.2 OUTLIER -58.66 -35.92 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.242 179.353 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.79 -53.32 57.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.02 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.22 -40.41 74.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.397 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 398' ' ' GLU . 33.8 m -52.06 -32.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.885 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 397' ' ' VAL . 5.0 mt-10 -73.46 -34.66 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.66 2.48 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 401' ' ' VAL . 59.4 t80 -45.19 147.16 0.77 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 400' ' ' PHE . 3.1 p -47.36 -53.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.719 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 139.27 -33.26 2.18 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.772 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.73 129.62 55.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -68.82 62.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.7 t -135.79 -1.52 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -104.2 161.46 14.01 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.755 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.5 mptm? -60.1 -27.12 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.33 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.423 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 400' ' ' PHE . 0.2 OUTLIER -47.65 -42.58 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 36.5 m0 -53.83 -64.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 0.0 110.407 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.719 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.7 mt -58.25 -69.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.8 -43.29 98.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.93 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -53.75 -61.28 2.4 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 14.9 tpp -57.91 -34.42 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.457 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -56.64 19.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.6 p -58.25 -45.16 88.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -58.22 -45.5 87.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.719 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.9 -48.75 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.71 -44.01 90.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.21 -28.83 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.37 -41.32 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.04 -14.32 60.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.436 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.3 m -71.83 -17.15 62.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.487 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.4 p -54.56 155.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.798 0.332 . . . . 0.0 111.216 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.401 ' O ' ' CG2' ' A' ' 428' ' ' THR . 0.0 OUTLIER -67.1 -69.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 427' ' ' GLU . 9.9 t 44.95 42.27 6.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.363 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.61 28.51 13.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 139.74 43.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.76 119.87 14.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.12 -39.0 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 t -61.71 -59.91 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.53 -38.61 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.68 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.46 -48.55 78.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.323 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -64.09 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -60.19 -55.16 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.436 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -60.23 -46.46 89.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.226 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -59.68 -41.52 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.27 99.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.667 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.43 -40.77 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.09 -44.98 90.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.386 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -62.89 -60.65 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.69 -48.49 20.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -67.4 -34.27 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.117 0.484 . . . . 0.0 109.741 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.55 -51.91 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.406 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 448' ' ' ILE . 11.8 tt -62.86 -36.23 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.97 -45.91 90.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.434 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.62 -39.73 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -69.55 -35.92 75.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 409' ' ' TYR . 0.9 OUTLIER -72.02 -42.15 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.54 -43.88 75.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.38 73.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.754 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.37 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.538 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.648 0.261 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -32.61 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -37.48 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.71 -59.17 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.997 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 1.8 pp -56.29 -41.5 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.193 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.26 -51.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.306 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -56.11 -38.65 71.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.286 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . 0.404 ' CG2' ' CD1' ' A' ' 423' ' ' LEU . 21.4 t -64.97 -42.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.94 -49.97 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -44.32 93.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -46.28 79.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.412 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.95 -38.22 81.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.358 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -55.98 -58.67 6.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.948 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.42 -42.88 92.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.914 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -62.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.198 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -46.08 -44.7 15.73 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -46.19 77.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.955 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.48 -37.01 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.73 -47.53 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.254 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.13 -42.26 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.318 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.15 -11.9 59.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.212 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -46.26 123.53 4.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.9 0.381 . . . . 0.0 111.252 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.1 p -45.49 -42.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.426 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 116.63 18.61 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.727 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.14 147.98 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.423 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.1 tttm -84.94 54.12 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.0 m -127.17 -31.19 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.96 174.95 11.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.483 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -77.43 -16.47 58.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -50.44 -66.12 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.383 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.423 ' CD2' ' HG3' ' A' ' 404' ' ' LYS . 0.7 OUTLIER -49.52 -41.24 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.302 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.9 m0 -54.46 -65.12 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 110.411 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 18.4 mt -53.61 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.84 -44.68 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.16 -44.23 83.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 15.1 mtt -64.88 -55.63 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 448' ' ' ILE . 0.6 OUTLIER -59.15 -41.76 89.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.095 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.2 p -59.85 -51.66 68.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.375 . . . . 0.0 110.579 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -55.75 -45.71 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.43 -38.53 84.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.405 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -51.63 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.24 -46.08 83.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.789 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.93 -27.59 62.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.404 ' CD1' ' CG2' ' A' ' 386' ' ' VAL . 57.3 tp -65.31 -52.55 53.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.42 -21.75 27.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.38 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -20.22 61.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.448 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.2 p -56.6 131.79 20.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -107.35 82.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.1 t -64.99 -50.06 67.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 93.14 -26.96 12.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 140.2 44.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.406 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.55 137.8 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.794 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.57 -43.74 84.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 64.4 p -62.55 -55.73 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.75 -39.52 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -50.79 72.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.57 -44.8 89.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.459 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.76 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -65.05 -54.84 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.527 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -59.24 -50.03 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.9 -36.09 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.95 86.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 32.8 t -61.62 -43.02 96.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -42.35 95.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.433 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -60.52 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.024 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.5 pp -51.6 -45.32 35.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 449' ' ' LEU . 3.5 tp60 -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.748 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.28 -51.54 36.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.254 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 449' ' ' LEU . 2.8 pp -66.12 -44.87 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.562 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 446' ' ' GLN . 4.2 pp -66.77 -39.32 87.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.554 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.412 ' N ' ' CD1' ' A' ' 449' ' ' LEU . 0.6 OUTLIER -61.86 -48.51 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 109.952 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -37.67 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.158 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.15 -53.19 61.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -38.15 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -63.79 -37.26 86.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -85.63 -35.01 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.46 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.74 0.305 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 383' ' ' ILE . 7.5 tt -71.16 -25.8 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.414 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -64.75 -37.48 87.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -50.62 38.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 380' ' ' ILE . 1.1 pt -63.11 -36.64 76.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 384' ' ' ILE . 26.5 pt -71.69 -41.44 70.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.863 0.363 . . . . 0.0 110.246 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . 0.417 ' N ' HG13 ' A' ' 384' ' ' ILE . 2.2 m-70 -58.1 -47.94 81.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.94 -38.33 81.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.343 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.7 mt -52.96 -57.19 11.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.951 0.405 . . . . 0.0 110.212 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.01 -42.71 98.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.038 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -45.7 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.24 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.15 -40.75 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.232 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.32 -53.63 53.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 109.979 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.81 -44.69 86.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.797 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -35.81 77.75 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.837 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.85 -47.21 87.42 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.779 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.41 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.98 178.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.464 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.19 -36.72 16.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.84 -44.37 96.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -87.98 -1.15 57.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 56.3 t80 -42.05 139.34 1.36 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.415 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.7 p -48.3 -47.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.445 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 135.03 -43.93 1.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.592 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.84 159.21 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.406 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 37.6 tttt -79.25 59.61 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.0 t -123.86 -31.18 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -83.85 156.33 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.005 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.44 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.1 OUTLIER -62.4 -19.38 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 411' ' ' LEU . . . -48.04 -66.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.847 0.355 . . . . 0.0 111.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.438 ' CD1' HD21 ' A' ' 452' ' ' LEU . 8.3 t80 -47.54 -37.84 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.374 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.7 m0 -58.43 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 110.486 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 0.9 OUTLIER -65.44 -26.39 67.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.6 mt -59.9 -67.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.255 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.66 -41.77 95.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.31 -54.71 43.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 3.3 ttm -58.64 -40.28 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.54 -51.92 67.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 41.7 p -56.82 -48.23 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -56.44 -42.1 77.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.63 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.527 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.65 -48.37 69.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.14 -37.26 79.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.59 -41.96 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.714 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 423' ' ' LEU . 4.3 mm? -67.64 -38.67 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.068 0.461 . . . . 0.0 110.329 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 -19.33 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.349 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.5 m -94.39 -21.34 19.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.699 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -53.02 144.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.774 0.321 . . . . 0.0 111.357 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.73 82.82 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.14 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -100.27 30.61 3.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.824 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -83.85 79.86 1.88 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.6 66.05 1.01 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 105.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.03 -33.94 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.41 -34.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -52.37 65.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.395 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -61.2 -34.11 74.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.583 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -55.06 35.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.289 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -45.05 86.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.209 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.95 -45.52 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.19 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.14 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.32 -39.61 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 57.3 m -65.39 -44.69 86.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.242 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -63.9 -59.81 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.815 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -51.07 -46.29 30.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.401 ' N ' ' CD1' ' A' ' 445' ' ' ILE . 61.2 tt0 -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.701 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.25 -54.06 24.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 13.9 tt -60.37 -40.84 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -49.63 76.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.501 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.64 -46.15 84.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.94 -37.96 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 409' ' ' TYR . 8.6 mt -62.9 -51.83 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.2 79.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.65 47.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.38 -34.92 75.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.5 tp -69.12 -45.4 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -42.57 -53.77 4.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -63.31 -31.39 72.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.0 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.92 -45.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.358 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -52.55 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.591 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.62 -43.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -49.89 74.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.886 0.374 . . . . 0.0 110.58 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -45.4 87.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -42.37 77.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.66 -38.7 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.02 -56.32 23.56 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.291 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -56.12 -51.05 69.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.066 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -56.34 -41.73 76.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.084 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.76 -45.42 78.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.729 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.84 -46.25 88.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.7 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.9 -38.7 76.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.002 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.35 -43.68 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.371 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.67 -42.52 97.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.95 -14.16 54.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.164 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.2 t80 -48.44 122.86 5.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 110.666 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 10.9 p -42.13 -46.09 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.689 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.39 22.87 3.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.712 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.16 142.31 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.019 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -82.16 56.34 3.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 3.6 t -121.6 -31.1 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.22 162.52 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -66.84 -17.48 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.303 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -53.03 -54.11 40.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.484 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 6.5 t80 -58.43 -37.58 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -58.77 -64.03 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.089 0.471 . . . . 0.0 110.103 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . 0.451 ' HA ' ' CG ' ' A' ' 414' ' ' GLU . 4.0 pp -58.79 -30.81 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.344 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.85 -65.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -61.78 -55.09 33.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.974 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 411' ' ' LEU . 2.8 pp20? -51.81 -43.92 63.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.616 0.246 . . . . 0.0 111.527 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 40.3 ttm -65.16 -45.11 86.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 110.657 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 393' ' ' LEU . 0.6 OUTLIER -60.96 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.0 p -59.74 -49.63 76.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -57.5 -46.1 84.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.63 81.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -45.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.719 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.29 -45.3 88.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.44 -31.12 63.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.43 -39.07 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -58.74 -19.96 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.302 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 6.1 t -71.93 -20.54 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.392 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.93 139.34 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.808 0.337 . . . . 0.0 111.29 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.0 -74.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.647 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 56.06 80.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -145.05 85.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 111.86 -40.3 2.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.2 113.55 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.85 -40.89 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 m -59.62 -55.0 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.97 -39.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.0 -48.29 80.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.45 -44.73 95.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.356 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.17 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -55.63 -56.97 14.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.697 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -48.08 69.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -48.05 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.91 -52.3 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.736 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 40.3 t -53.53 -40.84 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 9.5 t -61.94 -52.47 63.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.248 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -58.65 -47.67 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.702 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 13.3 mt -55.43 -56.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 110.55 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.53 -32.57 73.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.858 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.58 -52.22 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 449' ' ' LEU . 13.7 tt -63.89 -33.15 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . 0.406 ' N ' HG21 ' A' ' 448' ' ' ILE . 0.5 OUTLIER -62.74 -57.71 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 1.5 pt-20 -63.48 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -62.15 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 179.65 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 409' ' ' TYR . 3.8 mt -68.8 -42.18 77.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.93 82.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -31.9 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -99.42 25.12 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.494 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.65 0.262 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.3 tp -39.52 -32.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.952 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -48.29 -63.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -31.54 69.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 7.3 mm -65.61 -43.24 94.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.42 -41.74 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.59 -54.97 41.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.71 -38.32 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.94 -53.26 58.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.09 -43.14 91.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.928 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -43.33 81.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.116 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.15 -41.71 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -55.25 -54.59 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.154 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.08 -42.63 81.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.86 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -41.5 97.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.859 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.28 -49.8 73.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.08 -44.57 83.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.675 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.99 -36.97 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.925 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -48.54 88.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.205 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.74 -36.64 81.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.113 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -82.29 -13.07 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 68.8 t80 -41.93 137.98 1.64 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.48 -48.27 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.573 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 136.36 -41.47 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.803 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -106.52 151.06 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.019 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 11.1 tttt -78.92 58.45 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.6 t -123.1 -31.15 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.03 159.97 23.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.446 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -65.89 -15.6 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.356 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.19 -57.27 10.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 412' ' ' LEU . 7.0 t80 -57.91 -36.51 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.4 m0 -57.08 -63.13 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.449 . . . . 0.0 110.137 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.62 -25.6 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.54 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 10.0 mt -58.78 -67.29 0.38 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -42.24 98.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -56.55 17.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 13.7 ttm -60.6 -41.47 94.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.701 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -43.78 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 47.1 p -64.01 -40.19 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -58.52 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -57.28 -36.73 71.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.99 -53.74 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.72 -40.17 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.669 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.1 -32.55 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.719 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.7 tp -72.92 -37.33 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.27 -13.66 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.485 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 8.2 m -71.9 -31.36 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.673 0.273 . . . . 0.0 111.155 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.26 155.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.45 -64.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' THR . . . . . 0.418 ' CG2' ' CB ' ' A' ' 431' ' ' GLN . 86.2 m 64.76 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 123.62 -73.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -148.4 25.66 1.38 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.647 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . 0.418 ' CB ' ' CG2' ' A' ' 428' ' ' THR . 3.2 tp60 -81.05 127.82 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.47 -25.38 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 99.1 p -62.25 -69.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.99 -26.66 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -60.82 -56.71 17.9 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -46.85 86.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.134 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.9 OUTLIER -66.69 -62.34 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.498 179.581 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 1.6 mmtt -52.7 -38.48 60.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.458 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.38 -43.52 94.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.11 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.03 -56.01 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.716 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.542 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 17.1 m -50.36 -43.76 22.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.71 -47.65 77.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.91 -57.36 11.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.5 pp -52.05 -47.86 42.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.804 0.335 . . . . 0.0 110.792 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -32.97 73.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -66.19 -52.63 46.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.628 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 19.3 tt -63.43 -37.77 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.733 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.68 -55.43 33.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.625 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -60.91 -37.55 82.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -47.29 86.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.71 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.436 HD22 ' CD1' ' A' ' 409' ' ' TYR . 8.2 mt -67.89 -37.27 81.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.738 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -43.3 98.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.17 -35.26 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -34.76 64.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.989 0.424 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 380' ' ' ILE . 0.1 OUTLIER -76.66 -36.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.233 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -57.84 -35.42 70.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -70.09 -48.77 56.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.82 -38.43 80.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.593 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 20.2 tt -68.35 -45.17 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 0.0 110.571 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -56.24 24.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.232 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.8 m -59.05 -35.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.345 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.92 -48.64 80.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.96 -48.49 81.34 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.7 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.1 -37.11 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.374 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.31 -55.87 29.18 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.71 -42.9 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.703 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -36.9 83.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.977 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.68 -46.8 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.043 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.98 -42.12 98.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.114 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.12 -57.82 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.728 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.39 -36.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.38 -37.43 80.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.348 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.2 -5.68 57.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.303 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 409' ' ' TYR . 73.7 t80 -47.18 145.23 2.33 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.2 p -45.33 -51.75 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.733 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 121.0 23.59 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.79 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -148.1 142.23 26.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -84.77 55.85 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 6.6 t -122.7 -30.98 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.59 162.39 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.009 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.443 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -74.72 -19.37 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.36 -57.75 8.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 400' ' ' PHE . 74.0 t80 -51.9 -39.1 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.443 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.6 m0 -58.0 -60.57 3.52 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.055 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.13 -25.55 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.622 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.6 mt -59.98 -67.6 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.068 0.461 . . . . 0.0 110.17 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.14 -44.58 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.47 -55.99 25.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 14.0 tpp -56.23 -45.9 79.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.602 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 448' ' ' ILE . 12.2 tp -60.28 -42.43 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 20.5 m -58.49 -49.35 77.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -58.45 -48.66 80.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.17 -39.88 76.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.736 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.81 -52.72 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.39 -31.85 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.73 -54.86 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.9 -26.78 68.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.111 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -55.46 -22.48 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.1 m -94.88 38.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 111.292 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.6 p -92.9 142.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.7 68.39 1.54 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 111.028 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.6 t -62.05 -49.72 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 69.67 -65.78 0.62 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 177.85 52.63 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.412 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -107.02 133.79 51.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.36 -46.3 89.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -53.29 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.81 -39.8 78.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -47.6 85.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -59.98 -56.16 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.73 69.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.602 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -62.12 -58.67 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.92 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.609 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.74 -54.24 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.66 78.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 24.4 t -59.86 -34.36 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.555 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 7.4 m -65.88 -44.89 83.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.173 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.735 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 1.8 pp -51.11 -48.98 30.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.46 -25.31 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.148 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.68 67.42 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.849 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 416' ' ' LEU . 1.7 mp -70.47 -46.49 70.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.0 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.68 -50.58 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.596 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.36 -51.66 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.663 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -38.78 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.656 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.79 -36.07 81.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -39.78 77.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.37 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -86.51 -32.62 20.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.6 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.738 0.304 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 3.3 tt -94.3 -36.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.337 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -40.35 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -56.75 15.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.044 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 383' ' ' ILE . 33.9 pt -55.17 -37.6 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 37.0 mt -63.35 -50.24 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.533 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.34 -54.14 47.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.602 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 25.4 m -59.42 -34.42 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -50.12 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -44.51 96.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.235 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -54.46 45.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.24 -32.65 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.441 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.09 -55.63 32.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.86 -40.23 83.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.638 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -47.15 87.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.048 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -56.17 -43.37 78.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.131 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.01 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.17 -56.66 18.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' VAL . . . . . 0.421 ' CG1' ' CD2' ' A' ' 412' ' ' LEU . 17.9 m -54.9 -38.93 46.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.843 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.38 -45.34 94.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.15 -4.3 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.321 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' PHE . . . . . 0.482 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 85.9 t80 -47.1 123.59 5.53 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.15 -45.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.516 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 118.23 20.7 4.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -148.19 148.34 30.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 7.5 tmtt? -84.85 55.1 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.4 m -123.31 -31.18 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.36 167.12 16.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . 0.439 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -70.72 -17.8 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.877 0.37 . . . . 0.0 111.245 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' TYR . . . . . 0.482 ' HB2' ' HE1' ' A' ' 400' ' ' PHE . 2.5 t80 -50.93 -39.16 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' TRP . . . . . 0.439 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.3 m0 -56.91 -65.19 0.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.939 0.399 . . . . 0.0 110.303 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.02 -28.29 69.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 24.0 mt -58.27 -70.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.7 -59.24 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 42.0 tpp -56.84 -36.18 69.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 448' ' ' ILE . 0.3 OUTLIER -58.75 -55.73 31.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 7.5 p -58.66 -45.88 88.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.5 -50.53 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.6 -41.44 90.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -52.09 67.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.39 -38.81 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -69.97 -38.08 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.89 -37.38 81.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.09 -21.19 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 3.1 m -94.85 37.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.299 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.33 119.99 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -67.03 141.08 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.1 t -162.37 88.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.36 73.96 1.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.417 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 77.54 38.18 29.0 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 123.02 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.76 -43.35 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -66.16 -43.65 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.48 -41.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.45 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -52.3 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.78 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -61.04 -56.6 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.563 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 31.5 mmtt -59.87 -34.37 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.429 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.43 -44.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.7 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' VAL . . . . . 0.563 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.3 m -51.13 -42.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 41.8 m -67.21 -41.04 86.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.21 -54.26 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 442' ' ' VAL . 1.9 pp -54.82 -51.1 55.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.809 0.337 . . . . 0.0 110.689 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -66.92 -28.17 68.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 110.059 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -62.99 -60.52 3.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.728 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.446 ' CD1' ' CD2' ' A' ' 416' ' ' LEU . 1.1 pt -65.68 -30.65 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.745 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.67 -52.59 56.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.02 0.438 . . . . 0.0 110.261 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.93 97.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.317 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -38.05 79.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.4 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 409' ' ' TYR . 8.1 mt -65.61 -48.79 71.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.738 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.06 -39.66 82.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -36.77 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -78.03 -34.52 50.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.23 101.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -91.47 179.9 1.47 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.957 2.438 . . . . 0.0 112.872 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.94 7.97 34.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 383' ' ' ILE . 2.2 tp -37.59 -32.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -52.35 -38.46 58.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -57.76 6.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.299 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 380' ' ' ILE . 1.2 pp -55.84 -32.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.812 0.339 . . . . 0.0 111.022 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 30.0 mt -67.72 -50.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -56.19 -54.43 45.24 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.8 -35.66 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.462 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.05 -50.21 74.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.057 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.47 -45.09 94.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.948 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -45.92 84.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.03 -34.75 68.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.294 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.53 -54.46 45.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -56.09 -45.52 79.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.853 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.943 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.33 -49.57 75.7 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.747 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.566 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.32 -55.78 24.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.4 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 398' ' ' GLU . 28.8 m -56.11 -36.92 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 397' ' ' VAL . 0.6 OUTLIER -63.37 -41.63 98.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.979 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.86 -4.8 58.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.8 t80 -41.08 127.36 2.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.828 0.346 . . . . 0.0 111.282 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 9.1 p -43.86 -45.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.488 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 115.72 25.45 3.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.622 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.17 124.35 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CG ' ' CD2' ' A' ' 409' ' ' TYR . 7.0 ttpt -61.74 -15.64 42.6 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.6 p -72.7 -21.68 61.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.05 147.2 45.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.442 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 9.6 tttp -62.6 -25.95 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.97 62.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.497 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 9.5 t80 -59.11 -38.55 79.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 48.9 m0 -58.05 -61.26 2.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.151 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.94 -27.56 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.6 mt -58.84 -68.37 0.27 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.12 -38.07 87.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 37.2 tpp -59.1 -38.83 80.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 393' ' ' LEU . 0.3 OUTLIER -63.35 -46.06 88.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.735 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.1 m -60.08 -50.19 74.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.8 -43.67 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.69 -50.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.32 -31.51 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 pp -59.34 -29.49 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.35 -22.82 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 5.1 m -96.05 37.96 1.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.0 p -87.1 141.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -108.3 105.68 15.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 9.1 t -98.36 -47.32 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.94 43.98 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 102.25 58.43 0.78 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.585 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -124.9 121.15 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.66 -44.25 93.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -56.49 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.65 -35.09 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -59.98 -58.6 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.68 -47.56 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.41 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -63.1 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -57.59 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -47.58 81.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.9 -42.28 89.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.38 77.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 15.5 t -60.23 -39.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.23 -47.37 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -61.99 -62.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 1.9 pp -48.5 -48.1 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.82 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.59 -30.24 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.032 0.444 . . . . 0.0 109.93 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.73 -49.53 58.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 449' ' ' LEU . 14.7 tt -64.66 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.841 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.405 ' N ' HG21 ' A' ' 448' ' ' ILE . 1.2 tp -63.19 -49.07 75.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.586 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -43.08 96.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -60.31 -44.16 95.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 409' ' ' TYR . 3.8 mt -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.16 -42.73 86.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -66.25 -36.23 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -97.26 25.05 5.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.47 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.612 0.244 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 -177.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.574 2.183 . . . . 0.0 112.24 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.39 -21.35 17.78 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.579 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -26.55 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.386 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.71 -43.24 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 0.0 111.338 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -40.11 77.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -55.96 20.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 46.7 pt -57.26 -36.25 51.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 33.2 mt -65.8 -48.37 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.463 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -56.88 -53.02 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 23.1 m -58.75 -39.24 76.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.744 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.97 -54.43 46.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -42.47 83.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -47.33 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.98 -39.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.55 -55.63 29.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.1 -38.82 77.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.759 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.59 -44.41 94.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.043 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.28 -49.71 71.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.993 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.81 -42.32 88.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.729 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.25 -35.8 80.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.083 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.89 -47.33 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.307 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.95 -38.31 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.21 -16.9 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.484 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 86.8 t80 -47.59 122.58 4.94 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.76 -43.08 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 116.39 18.3 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.711 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -148.1 158.88 44.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.338 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.41 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.2 ttmm -90.55 47.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.1 m -116.36 -30.97 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -85.33 168.79 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -74.88 -15.2 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.64 -56.92 10.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.484 ' HB2' ' HE1' ' A' ' 400' ' ' PHE . 4.2 t80 -56.67 -38.92 72.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.436 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -56.49 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -60.91 -30.17 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.36 -70.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.641 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.46 -31.57 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -68.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.3 ptp -62.2 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.6 -57.53 12.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 26.8 m -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -42.25 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 3.1 pp -56.62 -39.48 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 32.2 tp -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.641 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 441' ' ' ALA . 6.6 tt -61.98 -46.37 89.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.805 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -55.51 -21.77 18.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.218 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 58.0 m -94.8 25.75 3.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.353 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.7 p -82.01 124.71 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.84 74.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 m -98.08 83.05 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.28 -67.23 2.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.579 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -162.41 47.31 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -97.85 126.74 43.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.46 -44.58 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -49.73 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.97 -35.07 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.52 26.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.07 -42.11 84.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.341 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.89 -34.63 78.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -63.56 -56.17 18.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.434 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.566 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 9.5 ttpt -60.2 -35.93 76.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.342 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.66 -42.77 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.407 ' CB ' ' CD1' ' A' ' 423' ' ' LEU . . . -65.86 -58.14 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.566 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 11.3 m -47.6 -44.59 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.936 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.89 -42.83 89.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.177 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -65.38 -58.17 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.868 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 442' ' ' VAL . 2.5 pp -51.56 -46.64 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.572 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -68.93 -33.5 73.84 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.92 -51.34 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.548 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 15.5 tt -63.45 -38.16 81.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.561 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.17 -50.66 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.454 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.66 -43.69 97.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -58.75 -43.18 90.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -46.25 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.96 -40.85 85.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -68.57 -41.25 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -73.65 -35.01 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.452 -1.194 . . . . 0.0 112.561 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.591 0.234 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.1 110.14 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.527 2.152 . . . . 0.0 112.101 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.79 91.23 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.442 2.095 . . . . 0.0 112.712 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.9 t -103.11 7.45 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -32.87 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -31.83 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -67.25 -54.76 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 384' ' ' ILE . 5.6 pt -59.67 -30.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . 0.453 ' N ' HG13 ' A' ' 383' ' ' ILE . 18.6 mt -70.58 -51.58 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.96 -51.76 67.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.92 -41.01 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.65 -54.49 37.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.649 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.06 -47.09 87.33 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.361 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -46.1 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.4 -40.35 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.361 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.47 -52.15 66.55 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.092 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.849 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.12 98.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.92 -50.52 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.955 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.4 -42.45 82.25 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.872 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -37.64 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.99 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.41 -47.7 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.342 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.33 -37.16 86.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.383 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.81 -12.71 57.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.208 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 57.9 t80 -43.56 138.9 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.876 0.37 . . . . 0.0 111.18 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.2 p -49.82 -47.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 136.25 -44.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.711 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -108.45 157.2 18.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -76.68 60.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 4.8 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.71 155.27 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 11.3 tttt -62.6 -18.45 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.79 -61.64 2.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.373 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.428 ' CD1' HD22 ' A' ' 452' ' ' LEU . 2.6 t80 -49.87 -39.75 40.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.435 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.6 m0 -57.74 -63.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.162 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.53 -25.64 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.1 mt -59.6 -65.39 0.68 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -63.88 -36.39 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.908 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.2 -57.36 13.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 4.0 tpp -59.68 -39.66 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.23 -50.88 71.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 22.3 p -58.67 -46.76 86.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -51.33 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.58 -41.16 85.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.43 -51.36 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.66 -32.22 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.35 -58.06 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.59 -20.93 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.266 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 25.0 p -93.72 38.02 1.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.757 0.313 . . . . 0.0 111.337 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.25 136.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.074 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.16 116.84 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 10.0 t -136.79 31.38 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.06 49.79 3.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 138.43 44.82 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -155.28 109.5 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.27 -31.17 67.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -62.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.87 -32.13 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -59.31 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.553 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.04 83.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.413 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -63.97 -36.39 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.758 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -54.58 43.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.504 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -59.95 -42.89 95.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.1 -46.17 91.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.502 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.77 93.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 445' ' ' ILE . 27.3 t -63.5 -41.34 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.4 t -63.14 -45.25 92.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -60.96 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 442' ' ' VAL . 1.9 pp -49.34 -48.4 18.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.32 -31.96 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.875 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.74 -53.97 33.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.592 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 13.4 tt -62.15 -39.02 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.561 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.92 -56.49 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.38 -35.06 74.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.09 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 409' ' ' TYR . 11.2 mt -67.8 -40.67 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.759 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -38.6 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -76.58 -37.07 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 25.06 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.449 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.695 0.283 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . 0.403 ' HB3' ' HD2' ' A' ' 378' ' ' PRO . 51.7 Cg_exo -52.61 -175.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.012 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 377' ' ' PRO . 92.8 Cg_endo -80.59 50.08 3.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.451 2.101 . . . . 0.0 112.69 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 6.2 p -103.3 -38.03 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 383' ' ' ILE . 0.8 OUTLIER -75.08 -36.99 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.311 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -42.02 81.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -64.07 -55.08 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 380' ' ' ILE . 8.6 tp -58.38 -36.51 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.174 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 49.7 mt -64.88 -47.62 87.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.398 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -56.98 -54.16 49.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.445 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.89 -35.31 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.501 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.52 -49.51 77.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.109 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.98 -44.32 91.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.993 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.065 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.6 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -56.85 -51.71 67.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.837 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.3 -45.45 84.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.659 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -36.09 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.025 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.37 -42.55 99.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.9 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.37 -58.39 8.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.509 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 34.9 m -52.67 -36.93 23.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.622 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.27 -44.62 94.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -84.34 -4.57 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.936 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 84.6 t80 -41.2 136.38 1.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.374 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 3.8 p -45.82 -51.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.628 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 136.73 -35.07 2.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.667 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 154.06 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 9.6 tttm -82.14 55.97 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -8.8 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -104.04 155.2 18.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.733 0.302 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.429 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.9 OUTLIER -60.91 -19.35 60.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.26 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.22 -62.54 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.385 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 412' ' ' LEU . 6.5 t80 -52.37 -36.1 52.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.429 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.6 m0 -58.67 -63.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.272 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 1.1 pp -63.16 -27.21 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.2 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 12.4 mt -57.46 -71.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.365 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.01 -42.15 89.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.947 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.77 -55.73 28.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 tpp -58.18 -39.72 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.652 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.6 -53.49 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -46.58 80.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -46.74 84.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -45.75 89.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.17 -53.4 58.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.88 -30.86 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.17 -60.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.76 -29.39 68.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.017 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.26 -22.28 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.5 m -95.89 38.2 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.178 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.3 p -89.82 147.35 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.082 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -114.84 79.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 9.4 t -73.56 -47.98 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 53.54 24.37 23.89 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.572 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 103.72 98.83 2.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -165.56 122.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -45.67 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -55.38 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 35.7 t -58.14 -41.71 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -45.34 91.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.63 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.94 -53.41 57.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.452 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.01 72.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.597 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -62.43 -62.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.639 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -44.82 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.996 0.427 . . . . 0.0 110.831 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.88 -53.02 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.57 -47.19 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 43.4 t -55.17 -41.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.3 m -63.51 -50.25 70.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.269 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -57.28 -48.88 77.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 9.2 mt -55.49 -52.57 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.55 -28.34 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.931 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -70.53 -47.28 61.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.734 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.54 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.63 -54.74 23.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.589 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.45 -41.5 85.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.94 -46.55 89.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 409' ' ' TYR . 8.0 mt -59.89 -47.15 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.93 -42.48 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -52.91 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.768 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -67.49 -35.04 78.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.565 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 378' ' ' PRO . 39.1 Cg_exo -55.84 -45.54 38.13 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.652 2.234 . . . . 0.0 112.634 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 377' ' ' PRO . 36.7 Cg_exo -57.53 -19.7 37.91 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.273 1.982 . . . . 0.0 112.52 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.25 -33.43 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.789 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.99 -46.71 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . 0.413 ' HG2' ' CE1' ' A' ' 385' ' ' HIS . 6.1 tttm -47.29 -32.77 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -66.95 -60.48 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.413 ' CD1' ' CB ' ' A' ' 441' ' ' ALA . 9.5 tp -57.39 -35.31 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.034 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.25 -47.92 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 110.48 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . 0.413 ' CE1' ' HG2' ' A' ' 381' ' ' LYS . 57.5 m170 -56.53 -53.72 54.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.336 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 22.7 m -59.43 -34.9 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -51.6 69.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.124 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -45.37 90.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.949 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -40.88 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.035 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.35 -39.89 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -52.54 65.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.02 -45.43 83.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.771 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -34.38 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.819 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.08 -49.2 78.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.877 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -39.53 92.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.775 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.0 -56.58 19.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.491 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.407 ' CG2' ' HG ' ' A' ' 452' ' ' LEU . 7.2 p -56.72 -35.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.399 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.048 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.26 -4.9 58.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.176 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 48.2 t80 -41.98 142.09 0.76 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.916 0.389 . . . . 0.0 111.334 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . 0.443 HG13 ' CE1' ' A' ' 400' ' ' PHE . 5.5 p -49.83 -48.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.478 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 135.76 -39.45 1.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.574 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -111.42 142.68 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 62.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.91 -31.16 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.61 158.55 24.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.442 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -57.54 -23.18 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.29 -64.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.227 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.469 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 23.6 t80 -47.59 -39.56 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.2 m0 -57.72 -64.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.315 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.96 -25.15 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.627 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 13.2 mt -59.57 -67.89 0.34 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.064 0.459 . . . . 0.0 110.49 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.05 -38.49 91.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.27 -54.98 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 17.5 tpp -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.694 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 10.2 mt -58.82 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.0 p -59.98 -43.53 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -57.79 -55.26 37.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -59.17 -36.83 75.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -53.36 58.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.21 -33.94 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.07 -60.29 4.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.71 -31.56 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -54.26 -24.97 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.99 37.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.31 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -96.13 97.21 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 46.2 m -135.92 97.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.66 28.58 12.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 145.55 61.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.584 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -132.89 116.47 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.38 -42.46 98.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.92 -38.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -53.54 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -58.23 -54.07 51.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.724 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -62.47 -55.67 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.1 OUTLIER -60.93 -37.37 82.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.344 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.31 -47.34 70.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.988 0.423 . . . . 0.0 110.114 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.413 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -67.14 -51.67 51.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 26.3 m -53.4 -44.99 56.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.41 -45.76 89.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -56.73 15.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.6 pt -52.63 -44.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 445' ' ' ILE . 28.5 mm-40 -71.13 -31.75 68.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.202 0.525 . . . . 0.0 109.813 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.32 69.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.508 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.95 -38.53 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.734 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.88 -50.79 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.6 -42.42 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.683 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -60.37 -39.12 86.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 409' ' ' TYR . 0.2 OUTLIER -72.29 -45.55 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -30.38 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -55.08 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -34.92 78.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.587 0.232 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.69 170.48 20.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 62.13 2.26 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.27 -23.55 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -45.24 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 0.0 111.514 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -40.3 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.199 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -55.58 20.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 35.5 pt -56.28 -35.69 43.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.203 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 26.1 mt -66.66 -52.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.7 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -57.21 -56.08 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.98 -37.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.79 -52.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.22 -44.75 92.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -46.32 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.538 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 99.1 t -63.78 -38.27 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.2 -54.29 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 110.059 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.07 -44.58 87.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.94 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -38.18 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.165 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.05 -47.82 84.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.066 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -60.87 -44.28 97.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.223 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.39 -57.76 11.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 398' ' ' GLU . 9.7 p -54.4 -36.13 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.705 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 397' ' ' VAL . 0.0 OUTLIER -63.74 -41.56 98.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.377 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.36 -2.43 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.25 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 92.4 t80 -44.92 140.63 2.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 2.5 p -45.05 -57.71 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.812 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 141.97 -29.75 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.594 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -115.29 151.9 33.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.416 ' HE3' ' CE1' ' A' ' 409' ' ' TYR . 1.5 ttmp? -77.9 61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -30.98 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.194 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.98 149.94 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 4.1 mttt -59.86 -23.51 63.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.68 -45.82 58.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 26.3 t80 -60.86 -41.72 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.439 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 37.4 m0 -57.25 -57.26 13.4 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.89 -30.02 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.312 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 9.8 mt -55.95 -68.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 110.347 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.42 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.805 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.38 -56.51 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.0 mmt -56.45 -39.58 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.54 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 59.8 p -56.1 -43.91 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -54.82 -51.02 67.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -60.75 -42.99 98.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.42 -51.3 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.2 -41.75 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -29.52 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.17 -36.35 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.44 -20.0 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 71.1 m -71.89 -26.7 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.311 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.1 141.88 12.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.813 0.34 . . . . 0.0 111.164 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -116.04 99.1 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 9.8 t -92.32 75.96 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.55 70.51 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.693 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 106.48 -25.52 22.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.697 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -59.77 96.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.26 -36.83 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -53.71 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 21.2 t -62.69 -34.64 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.777 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -54.51 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.395 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -59.44 -49.77 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.33 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.42 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -64.27 -59.19 4.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.541 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.4 OUTLIER -57.54 -37.47 73.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.406 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.25 -40.6 94.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.1 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -55.27 14.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.541 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.9 m -50.31 -46.89 26.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.26 -43.48 94.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.305 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -54.88 30.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.2 pt -54.25 -44.51 65.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 445' ' ' ILE . 2.8 mt-30 -71.26 -30.82 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.59 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.755 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 449' ' ' LEU . 11.2 tt -67.9 -42.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.923 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.404 ' N ' HG23 ' A' ' 448' ' ' ILE . 0.5 OUTLIER -63.98 -48.42 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.54 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -59.86 -37.96 80.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 409' ' ' TYR . 0.1 OUTLIER -63.86 -49.33 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.48 -40.96 93.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -67.94 -42.54 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -35.04 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.508 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' THR . . . . . 0.497 ' N ' ' HD3' ' A' ' 377' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 376' ' ' THR . 28.3 Cg_exo -60.27 -47.79 13.6 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.401 2.067 . . . . 0.0 112.85 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 377' ' ' PRO . 73.1 Cg_endo -87.79 24.17 0.74 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.727 2.284 . . . . 0.0 113.049 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 6.9 p -101.26 -53.9 2.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 11.0 tt -77.02 -36.84 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -47.47 -47.73 27.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.127 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.41 92.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.409 HG21 ' HB3' ' A' ' 437' ' ' ALA . 5.4 mm -64.11 -34.0 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 16.5 mt -66.51 -45.29 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.27 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -60.33 -55.86 28.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.381 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.59 -36.03 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.33 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -61.15 -44.82 96.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -42.51 95.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.909 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 63.2 t -63.03 -37.5 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.321 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -61.16 -55.88 27.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.885 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -58.44 -42.33 87.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.815 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -39.69 94.09 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.949 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.19 -46.07 89.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.992 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.03 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.14 -59.07 6.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.498 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.81 -36.85 24.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.231 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.05 -2.16 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 81.8 t80 -43.52 120.9 2.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 111.272 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 8.8 p -46.29 -42.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.367 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 116.81 27.04 2.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.512 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -146.23 132.66 19.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -8.97 57.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.581 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 62.4 p -72.74 -28.09 62.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.657 0.265 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.5 162.31 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.442 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 11.9 ptpt -72.05 -25.68 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.88 25.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.486 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 5.4 t80 -57.37 -39.2 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.1 m0 -56.93 -65.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.991 0.424 . . . . 0.0 110.286 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.08 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.356 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 8.2 mt -55.76 -67.41 0.29 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -40.61 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.1 -57.25 13.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.755 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.5 mtt -58.86 -37.51 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 449' ' ' LEU . 0.1 OUTLIER -59.24 -55.47 34.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -43.05 89.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -55.35 -60.2 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -58.08 -34.98 70.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.72 -50.77 72.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.63 -41.97 95.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -64.63 -32.86 74.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.62 -52.38 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.5 -24.21 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 2.6 m -97.43 38.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.9 p -104.13 142.71 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 150.6 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.4 t -165.46 76.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -78.41 61.73 3.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.85 16.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -103.8 113.13 26.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -57.02 -32.47 66.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.6 p -58.95 -57.89 11.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.58 -27.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -38.73 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.338 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.409 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -65.9 -33.34 75.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.849 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -70.46 -57.02 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -55.12 -47.86 74.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.91 -44.46 94.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.248 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.61 96.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.8 -48.67 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.776 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.96 -39.57 86.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.312 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -58.77 5.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 20.3 pt -50.82 -44.68 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.3 -33.21 69.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.17 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.636 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 448' ' ' ILE . 8.9 tt -65.47 -44.54 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.755 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -57.88 -51.67 68.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.519 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -44.11 92.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.19 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.622 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.44 -47.67 75.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.49 -37.99 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -77.98 -30.56 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -103.5 25.13 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.463 0.173 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.36 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.548 2.165 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -90.41 163.72 4.46 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.933 2.422 . . . . 0.0 112.696 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 2.8 m -89.4 7.44 35.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.081 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 3.2 tt -43.24 -30.09 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.872 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -45.8 -58.55 3.41 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.966 0.412 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 16.5 mm -69.44 -36.36 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 7.2 mt -68.54 -46.27 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.322 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.53 -56.97 14.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.336 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.18 -35.55 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.16 -49.97 75.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -58.7 -44.42 90.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.003 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.81 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.152 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.21 -38.36 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.304 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.95 -53.75 53.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.067 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.29 -44.15 88.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.776 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 448' ' ' ILE . 0.2 OUTLIER -60.41 -40.49 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.966 179.189 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.38 -49.47 77.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.954 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -56.71 -43.79 80.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.76 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.55 -38.36 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.996 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.21 -49.73 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.144 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.51 -36.02 75.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.192 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.25 -14.89 52.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.998 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.4 t80 -43.06 121.1 2.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.865 0.364 . . . . 0.0 111.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 9.9 p -44.71 -43.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.521 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.29 26.7 2.85 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.614 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.2 131.48 18.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -11.3 58.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.545 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.1 m -72.73 -24.34 60.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.732 0.301 . . . . 0.0 110.951 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -74.41 151.23 39.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 26.8 tttt -64.79 -23.67 67.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.38 -53.98 31.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.414 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.464 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 3.9 t80 -57.3 -40.23 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.426 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.9 m0 -57.03 -63.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.171 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.28 -31.62 71.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.0 mt -53.91 -67.54 0.25 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.71 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.14 -35.36 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.74 -64.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -43.57 77.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.03 -52.63 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 15.0 p -54.02 -46.96 71.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -58.59 -42.58 88.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -58.47 -47.74 83.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.6 -52.65 64.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.97 -29.74 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.52 -37.5 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.73 -27.21 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.81 -21.16 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 57.6 m -71.83 -18.45 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.7 p -56.01 140.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 111.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -108.91 121.23 44.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -123.74 102.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.33 28.85 11.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.415 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 117.13 35.03 1.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -104.28 122.86 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.84 -36.79 72.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -69.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.42 -23.77 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.266 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -64.04 -40.73 96.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.83 93.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -65.17 -56.07 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.0 -50.24 69.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.78 -36.25 83.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.05 -50.89 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.882 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.72 -40.17 81.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 51.6 t -64.53 -45.08 88.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -60.53 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.84 -47.71 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.351 . . . . 0.0 110.757 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -68.56 -30.87 69.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.09 0.471 . . . . 0.0 109.825 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.58 67.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.709 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 449' ' ' LEU . 14.3 tt -66.81 -39.19 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.406 ' N ' HG23 ' A' ' 448' ' ' ILE . 2.4 tp -64.23 -51.52 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.699 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -42.11 97.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -45.1 94.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.744 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -44.3 95.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.71 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -30.53 60.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.47 25.03 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.87 105.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.621 2.214 . . . . 0.0 112.281 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 84.99 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.519 2.146 . . . . 0.0 112.587 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 5.1 m -103.1 7.36 38.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.006 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 437' ' ' ALA . 6.8 tp -47.07 -27.72 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.743 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -53.06 12.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 17.7 mt -66.87 -40.5 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.951 0.405 . . . . 0.0 110.582 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 17.3 mt -66.82 -42.83 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.237 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.408 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.54 -38.13 73.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.428 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.0 -51.78 67.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.238 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.9 -44.67 91.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.206 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -42.13 81.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.079 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.87 -39.22 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.221 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -53.36 59.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -56.51 -48.83 76.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.165 0.507 . . . . 0.0 110.116 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 396' ' ' GLU . 0.2 OUTLIER -59.88 -41.59 91.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.974 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 397' ' ' VAL . 4.8 tt0 -57.74 -40.49 79.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.66 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.53 -55.65 16.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.584 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 393' ' ' LEU . 10.5 pt-20 -62.06 -50.79 70.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 394' ' ' GLU . 18.5 m -58.49 -37.25 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.91 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.29 -9.06 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.094 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 409' ' ' TYR . 9.9 t80 -46.46 158.75 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 111.302 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.92 -50.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 125.36 33.13 0.74 Allowed Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.863 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.05 133.61 55.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.77 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' A' ' 409' ' ' TYR . 7.4 ptmt -94.57 -21.85 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.499 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.2 t -72.94 -29.48 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.61 142.58 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.11 70.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.54 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.988 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.476 ' HB2' ' CE2' ' A' ' 400' ' ' PHE . 74.6 t80 -60.39 -31.43 70.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.108 0.48 . . . . 0.0 109.893 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -52.71 63.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.055 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -37.78 87.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.446 ' CD1' ' CD1' ' A' ' 400' ' ' PHE . 19.2 mt -51.44 -68.66 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.02 0.438 . . . . 0.0 110.202 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.43 -63.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -36.5 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' A' ' 448' ' ' ILE . 20.6 mt -57.54 -57.94 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.776 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.9 m -57.43 -40.73 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.09 -53.54 56.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -39.84 87.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.93 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.07 -49.76 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -29.98 68.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.6 -52.85 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -22.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.733 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.4 m -86.94 38.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.608 0.242 . . . . 0.0 111.364 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.2 p -96.81 148.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.756 0.312 . . . . 0.0 110.978 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -102.9 122.63 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 4.6 t -131.82 -48.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.57 61.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 100.83 50.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -113.51 130.57 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.68 -39.23 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -54.58 -67.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.94 -25.25 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -58.58 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.519 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.21 -43.26 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 380' ' ' ILE . . . -60.83 -39.02 87.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -58.86 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -52.61 -49.79 64.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.69 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -62.81 -43.09 99.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -48.41 77.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.984 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 22.4 t -57.82 -46.4 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.33 -45.66 92.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.345 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.95 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.992 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 446' ' ' GLN . 27.5 pt -48.38 -44.71 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 445' ' ' ILE . 0.9 OUTLIER -69.79 -34.68 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.01 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.351 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.449 ' CG2' HD22 ' A' ' 416' ' ' LEU . 14.3 tt -62.14 -41.47 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -51.11 71.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.64 -42.98 94.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -57.56 -44.25 85.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.699 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.43 HD21 ' CD1' ' A' ' 409' ' ' TYR . 8.2 mt -64.05 -46.35 84.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.81 -36.66 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -76.65 -32.28 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -32.16 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.603 0.24 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.33 170.71 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.344 2.03 . . . . 0.0 112.127 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.12 59.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.537 2.158 . . . . 0.0 112.398 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 35.0 p -103.34 -51.23 3.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.9 tp -55.59 -39.61 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -52.77 -46.45 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -38.4 90.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.695 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 52.7 mt -67.28 -46.55 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 385' ' ' HIS . 32.9 pt -63.37 -39.39 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.384 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . 0.403 ' N ' HG13 ' A' ' 384' ' ' ILE . 5.3 m170 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.283 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.72 -33.53 49.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.3 -52.63 64.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.027 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -57.89 -43.61 86.19 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.92 -40.92 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.78 -37.73 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.24 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -58.98 -53.44 58.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.993 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.41 -45.91 84.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.849 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 448' ' ' ILE . 0.3 OUTLIER -62.45 -34.6 77.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.56 -47.21 87.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.777 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.25 -40.32 97.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.754 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -54.89 40.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.402 ' CG1' ' CD2' ' A' ' 412' ' ' LEU . 28.2 m -58.72 -35.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.435 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -62.66 -40.25 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.935 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.57 -12.76 50.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.993 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.7 t80 -46.4 129.05 10.52 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.844 0.354 . . . . 0.0 110.977 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.07 -47.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.584 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 119.62 22.68 3.29 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.875 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 125.01 11.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.792 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.84 64.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.5 m -131.92 -31.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.311 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.68 161.42 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.7 OUTLIER -59.63 -20.5 56.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.83 9.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.482 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 6.2 t80 -58.18 -36.45 73.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.0 m0 -56.97 -64.69 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.176 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.335 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 12.6 mt -56.47 -68.91 0.17 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.31 -54.72 43.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 22.3 tpp -58.92 -40.63 85.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 449' ' ' LEU . 0.0 OUTLIER -58.8 -46.91 86.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 6.5 m -60.59 -51.01 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -55.24 -46.07 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.25 -43.01 96.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.85 -44.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -45.88 91.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.69 -44.6 93.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.95 -44.09 97.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.04 -20.24 37.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.409 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 60.2 p -94.38 38.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.262 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.5 p -103.73 140.08 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.98 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -98.3 73.84 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 2.5 t -53.11 -45.68 68.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 59.32 27.32 62.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.562 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.77 64.19 2.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.81 128.94 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -58.7 -48.45 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.7 m -56.04 -55.47 32.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.76 -29.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -55.36 35.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.253 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.97 -40.33 91.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.242 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.39 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.626 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -54.61 10.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.565 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -58.4 -47.71 83.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -63.75 -39.39 94.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.51 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.85 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 445' ' ' ILE . 12.9 p -60.23 -36.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 22.3 t -64.12 -39.03 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.971 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -55.19 22.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.796 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 442' ' ' VAL . 17.7 pt -53.75 -44.96 60.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 121.002 0.43 . . . . 0.0 110.58 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 445' ' ' ILE . 1.8 mm100 -71.41 -30.85 66.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.76 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.27 -49.32 57.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.757 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 393' ' ' LEU . 17.8 tt -64.59 -46.72 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.009 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.411 ' CD1' ' HG ' ' A' ' 416' ' ' LEU . 4.0 tp -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.01 -49.98 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.309 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -38.79 82.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.396 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.49 -52.3 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -43.62 91.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.29 -34.98 77.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -101.31 25.15 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.436 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.373 0.13 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.87 108.74 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.392 2.061 . . . . 0.0 112.082 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.1 125.89 1.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.725 2.283 . . . . 0.0 112.876 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.8 t -90.0 7.45 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 2.0 tt -44.71 -27.76 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -44.97 -56.4 4.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -62.6 -34.74 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 -40.45 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.73 -43.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.291 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.86 -52.12 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.349 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.54 -37.72 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.38 -55.81 28.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -42.55 90.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . 0.405 ' CE ' ' CD1' ' A' ' 393' ' ' LEU . 1.2 tmtp? -58.5 -43.05 88.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.45 -39.87 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.16 -53.09 62.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -57.19 -54.22 49.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.405 ' CD1' ' CE ' ' A' ' 389' ' ' LYS . 0.0 OUTLIER -56.17 -39.77 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.36 -47.41 78.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -46.81 87.45 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.772 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -36.65 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.866 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.81 -48.37 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.168 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.52 -37.1 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.22 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -83.75 -13.36 54.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.201 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.6 t80 -44.57 130.3 6.8 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.878 0.371 . . . . 0.0 111.158 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 6.0 p -45.51 -47.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.371 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 119.14 19.51 4.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -148.14 131.28 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 61.79 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.9 t -127.19 -31.21 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.58 161.54 19.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.465 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.3 mptp? -61.15 -20.81 63.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.4 -66.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.467 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 6.3 t80 -50.17 -40.67 47.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.8 m0 -53.82 -65.32 0.59 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.33 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.425 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.8 mt -51.58 -71.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.34 -36.18 82.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -58.96 -65.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 27.3 mtp -58.56 -42.4 87.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.985 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.59 -52.29 66.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.002 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -57.59 -45.48 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.5 -37.47 70.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -49.1 77.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.661 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.96 -50.63 73.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.42 -30.01 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.08 -50.82 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.788 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.16 -22.03 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.643 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 24.0 p -89.9 38.15 0.91 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.504 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.9 p -86.77 155.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.979 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.05 113.75 27.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.4 t -126.68 -49.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 56.29 28.07 54.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 99.88 28.37 7.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 126.2 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.94 -37.55 74.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -69.08 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.4 -25.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -62.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.459 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.06 -43.07 96.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.545 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.45 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -69.9 -56.66 6.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -52.96 -48.35 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.01 0.433 . . . . 0.0 110.377 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.08 -46.87 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.63 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.1 m -62.84 -50.09 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -60.28 -62.06 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.045 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -48.23 -47.1 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.407 ' N ' ' CD1' ' A' ' 445' ' ' ILE . 1.9 tt0 -68.29 -30.79 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 0.0 109.817 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.32 -51.33 45.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.5 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.485 HG23 HD12 ' A' ' 448' ' ' ILE . 9.6 tt -62.84 -39.81 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.408 ' N ' HG21 ' A' ' 448' ' ' ILE . 4.3 tp -63.51 -47.45 81.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -40.31 93.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -61.47 -48.35 81.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 409' ' ' TYR . 15.2 mt -61.26 -42.93 99.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.45 -38.3 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.85 -44.38 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -73.46 -34.59 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.438 0.161 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.28 109.89 1.08 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.44 2.093 . . . . 0.0 112.056 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -84.72 143.53 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.61 2.207 . . . . 0.0 112.814 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 2.9 m -89.71 7.5 36.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.946 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 383' ' ' ILE . 1.0 OUTLIER -37.8 -33.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -46.62 -36.94 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -54.08 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.043 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 380' ' ' ILE . 1.0 OUTLIER -58.64 -30.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . 0.444 ' N ' HG13 ' A' ' 383' ' ' ILE . 26.3 mt -70.0 -53.29 24.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.321 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.52 -52.53 59.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.344 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.7 -37.48 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.403 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -51.37 64.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.298 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.99 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -48.08 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.74 -41.62 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.343 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -54.27 -53.63 51.07 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.084 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.07 -44.27 82.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.786 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -43.29 92.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.7 -48.24 78.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.017 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.28 -45.49 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.051 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.96 -45.8 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 28.2 t -54.27 -46.14 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.43 -40.87 98.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.368 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -80.3 -8.85 59.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.253 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 61.4 t80 -43.36 138.84 2.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 111.284 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.38 -47.22 26.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.556 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 137.4 -43.46 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.678 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 143.22 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.754 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 59.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.9 t -134.51 -0.07 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -104.19 161.2 14.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.446 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.12 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.42 ' CE1' HD13 ' A' ' 452' ' ' LEU . 13.9 t80 -45.92 -39.01 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 29.5 m0 -60.47 -64.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.073 0.463 . . . . 0.0 110.067 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 414' ' ' GLU . 3.8 pp -60.0 -25.38 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.545 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 12.3 mt -62.96 -55.16 28.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.74 -50.12 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.548 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 411' ' ' LEU . 11.9 pt-20 -54.89 -47.7 73.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' MET . . . . . 0.415 ' N ' ' CG ' ' A' ' 414' ' ' GLU . 5.0 tpp -65.25 -44.36 88.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.09 -49.22 78.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 p -58.98 -44.19 91.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.609 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -58.57 -46.34 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -50.56 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.78 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.66 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.93 -28.91 58.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.39 -39.49 92.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.1 -7.99 52.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.504 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 38.09 1.09 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.669 0.271 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.5 p -113.09 155.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -104.85 128.43 53.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.6 t -145.49 89.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -118.63 65.64 0.39 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 108.22 -26.44 16.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -59.14 108.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.17 -31.62 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 2.8 m -60.84 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.29 -28.61 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -60.69 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.359 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -58.11 -42.12 85.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.412 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -64.71 -38.0 89.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.67 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -60.86 -53.62 55.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -59.73 -47.16 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.54 -41.08 89.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.53 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.16 94.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.775 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.35 -45.7 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.515 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -62.78 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.1 pp -48.37 -47.16 14.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -32.13 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.24 -51.0 58.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.654 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 15.7 tt -64.49 -39.36 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.777 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.42 -49.87 75.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.432 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.4 -40.21 95.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.627 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 409' ' ' TYR . 2.7 tm? -64.99 -40.64 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.53 -41.8 95.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -33.94 62.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.48 25.1 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.478 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.715 0.293 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.5 106.53 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.645 2.23 . . . . 0.0 112.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -91.5 158.75 3.62 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.879 2.386 . . . . 0.0 112.768 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.91 7.82 32.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.965 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 383' ' ' ILE . 0.6 OUTLIER -38.09 -32.32 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -60.12 -48.57 81.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.42 . . . . 0.0 110.621 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -54.4 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 380' ' ' ILE . 8.9 tp -56.56 -37.13 50.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.6 -48.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.996 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -54.25 44.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.03 0.443 . . . . 0.0 110.409 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.73 -33.72 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.208 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -51.09 71.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.04 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 392' ' ' TYR . 0.8 OUTLIER -60.0 -45.85 91.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.867 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -44.29 78.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.21 -33.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.059 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -53.73 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.835 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . 0.412 ' CE2' ' HG2' ' A' ' 388' ' ' GLU . 21.3 m-85 -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.678 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -37.78 83.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.938 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.58 -45.11 95.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.938 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -42.74 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.972 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.78 -59.22 5.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.502 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.4 -37.94 24.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 110.678 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -89.2 -1.94 58.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 67.4 t80 -43.34 135.11 3.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.799 0.333 . . . . 0.0 111.386 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.5 p -52.2 -44.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.503 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 134.16 -31.76 2.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.873 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -109.63 140.47 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 57.65 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.5 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.2 161.5 25.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -21.9 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.29 -62.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.498 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 20.4 t80 -58.21 -30.76 66.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -65.12 0.7 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.303 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -26.38 68.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.378 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 11.4 mt -57.41 -61.46 2.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.333 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.75 -44.89 88.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.33 -55.94 28.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 30.0 tpp -59.17 -38.92 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.15 -44.88 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -44.62 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -59.55 -55.94 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.52 -39.49 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.53 -52.66 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.31 -40.23 81.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.727 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.77 -43.15 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.97 -38.96 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.87 -24.59 9.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.279 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.4 m -95.59 38.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.222 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -84.15 136.25 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -108.3 72.34 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.3 t -68.19 -47.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.36 40.18 93.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.565 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.35 64.28 3.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.547 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -126.0 136.29 52.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.58 -44.57 90.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p -59.04 -56.77 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.96 -31.94 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -61.2 -52.33 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.511 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.15 -50.34 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.3 93.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -60.53 -62.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -43.5 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.19 -53.35 58.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.402 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -59.27 -46.51 88.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.05 -39.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -45.4 84.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.366 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -62.64 -59.34 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.031 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.0 pp -51.11 -48.5 30.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.822 0.344 . . . . 0.0 110.725 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.62 -31.54 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.65 64.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.615 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 449' ' ' LEU . 14.1 tt -64.42 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.555 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.403 ' N ' HG21 ' A' ' 448' ' ' ILE . 1.0 OUTLIER -60.67 -55.34 34.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.36 -36.75 78.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -59.69 -46.2 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 8.4 mt -65.32 -45.77 82.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -60.56 -32.61 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.99 -48.3 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -67.01 -34.97 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.28 -1.289 . . . . 0.0 112.551 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.534 0.207 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.74 106.72 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.626 2.217 . . . . 0.0 112.148 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.08 96.82 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.597 2.198 . . . . 0.0 112.388 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 28.5 m -102.93 7.51 39.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.979 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.427 ' O ' HG13 ' A' ' 383' ' ' ILE . 0.7 OUTLIER -41.44 -31.5 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.815 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -45.74 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -54.54 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.021 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 384' ' ' ILE . 1.0 OUTLIER -60.98 -28.52 43.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . 0.44 ' N ' HG13 ' A' ' 383' ' ' ILE . 21.1 mt -71.62 -55.38 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -55.85 -42.05 75.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.338 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 32.2 t -66.39 -43.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.602 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.42 -50.61 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 392' ' ' TYR . 0.1 OUTLIER -61.94 -51.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 179.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -53.73 54.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.05 -33.21 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.42 -58.19 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.037 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 388' ' ' GLU . 7.7 m-85 -59.19 -47.94 83.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.881 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 448' ' ' ILE . 0.2 OUTLIER -58.66 -35.92 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.242 179.353 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.79 -53.32 57.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.02 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.22 -40.41 74.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.397 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 398' ' ' GLU . 33.8 m -52.06 -32.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.885 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 397' ' ' VAL . 5.0 mt-10 -73.46 -34.66 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.66 2.48 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 401' ' ' VAL . 59.4 t80 -45.19 147.16 0.77 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 400' ' ' PHE . 3.1 p -47.36 -53.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.719 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 139.27 -33.26 2.18 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.772 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.73 129.62 55.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -68.82 62.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.7 t -135.79 -1.52 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -104.2 161.46 14.01 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.755 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.5 mptm? -60.1 -27.12 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.33 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.423 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 400' ' ' PHE . 0.2 OUTLIER -47.65 -42.58 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 36.5 m0 -53.83 -64.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 0.0 110.407 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.719 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.7 mt -58.25 -69.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.8 -43.29 98.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.93 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -53.75 -61.28 2.4 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 14.9 tpp -57.91 -34.42 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.457 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -56.64 19.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.6 p -58.25 -45.16 88.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -58.22 -45.5 87.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.719 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.9 -48.75 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.71 -44.01 90.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.21 -28.83 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 12.3 tp -72.37 -41.32 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.04 -14.32 60.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.436 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.3 m -71.83 -17.15 62.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.487 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.4 p -54.56 155.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.798 0.332 . . . . 0.0 111.216 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.401 ' O ' ' CG2' ' A' ' 428' ' ' THR . 0.0 OUTLIER -67.1 -69.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 427' ' ' GLU . 9.9 t 44.95 42.27 6.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.363 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.61 28.51 13.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 139.74 43.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.76 119.87 14.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.12 -39.0 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 t -61.71 -59.91 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.53 -38.61 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.68 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.46 -48.55 78.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.323 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -64.09 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -60.19 -55.16 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.436 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -60.23 -46.46 89.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.226 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -59.68 -41.52 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.27 99.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.667 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.43 -40.77 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.09 -44.98 90.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.386 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -62.89 -60.65 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.69 -48.49 20.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -67.4 -34.27 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.117 0.484 . . . . 0.0 109.741 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.55 -51.91 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.406 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 448' ' ' ILE . 11.8 tt -62.86 -36.23 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.97 -45.91 90.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.434 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.62 -39.73 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -69.55 -35.92 75.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 409' ' ' TYR . 0.9 OUTLIER -72.02 -42.15 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.54 -43.88 75.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.38 73.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.754 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.37 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.538 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . 0.522 ' N ' ' HD2' ' A' ' 378' ' ' PRO . 49.1 Cg_exo -56.06 -45.95 34.65 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.854 2.369 . . . . 0.0 113.593 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 377' ' ' PRO . 53.7 Cg_endo -71.14 -21.09 27.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.113 1.875 . . . . 0.0 113.333 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.13 -27.83 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.648 0.261 . . . . 0.0 111.31 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -32.61 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -37.48 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.71 -59.17 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.997 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 1.8 pp -56.29 -41.5 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.193 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.26 -51.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.306 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -56.11 -38.65 71.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.286 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . 0.404 ' CG2' ' CD1' ' A' ' 423' ' ' LEU . 21.4 t -64.97 -42.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.94 -49.97 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -44.32 93.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -46.28 79.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.412 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.95 -38.22 81.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.358 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -55.98 -58.67 6.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.948 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.42 -42.88 92.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.914 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -62.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.198 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -46.08 -44.7 15.73 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -46.19 77.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.955 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.48 -37.01 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.73 -47.53 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.254 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.13 -42.26 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.318 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.15 -11.9 59.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.212 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -46.26 123.53 4.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.9 0.381 . . . . 0.0 111.252 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.1 p -45.49 -42.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.426 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 116.63 18.61 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.727 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.14 147.98 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.423 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.1 tttm -84.94 54.12 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.0 m -127.17 -31.19 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.96 174.95 11.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.483 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -77.43 -16.47 58.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -50.44 -66.12 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.383 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.423 ' CD2' ' HG3' ' A' ' 404' ' ' LYS . 0.7 OUTLIER -49.52 -41.24 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.302 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.9 m0 -54.46 -65.12 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 110.411 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 18.4 mt -53.61 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.84 -44.68 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.16 -44.23 83.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 15.1 mtt -64.88 -55.63 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 448' ' ' ILE . 0.6 OUTLIER -59.15 -41.76 89.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.095 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.2 p -59.85 -51.66 68.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.375 . . . . 0.0 110.579 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -55.75 -45.71 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.43 -38.53 84.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.405 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -51.63 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.24 -46.08 83.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.789 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.93 -27.59 62.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.404 ' CD1' ' CG2' ' A' ' 386' ' ' VAL . 57.3 tp -65.31 -52.55 53.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.42 -21.75 27.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.38 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -20.22 61.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.448 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.2 p -56.6 131.79 20.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -107.35 82.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.1 t -64.99 -50.06 67.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 93.14 -26.96 12.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 140.2 44.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.406 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.55 137.8 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.794 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.57 -43.74 84.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 64.4 p -62.55 -55.73 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.75 -39.52 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -50.79 72.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.57 -44.8 89.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.459 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.76 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -65.05 -54.84 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.527 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -59.24 -50.03 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.9 -36.09 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.95 86.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 32.8 t -61.62 -43.02 96.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -42.35 95.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.433 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -60.52 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.024 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.5 pp -51.6 -45.32 35.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 449' ' ' LEU . 3.5 tp60 -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.748 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.28 -51.54 36.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.254 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 449' ' ' LEU . 2.8 pp -66.12 -44.87 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.562 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 446' ' ' GLN . 4.2 pp -66.77 -39.32 87.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.554 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.412 ' N ' ' CD1' ' A' ' 449' ' ' LEU . 0.6 OUTLIER -61.86 -48.51 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 109.952 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -37.67 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.158 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.15 -53.19 61.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -38.15 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -63.79 -37.26 86.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -85.63 -35.01 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.46 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.62 172.47 13.41 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.569 2.179 . . . . 0.0 112.238 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.48 70.27 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.57 2.18 . . . . 0.0 112.218 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 34.4 t -103.15 -28.64 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 383' ' ' ILE . 7.5 tt -71.16 -25.8 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.414 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -64.75 -37.48 87.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -50.62 38.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 380' ' ' ILE . 1.1 pt -63.11 -36.64 76.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 384' ' ' ILE . 26.5 pt -71.69 -41.44 70.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.863 0.363 . . . . 0.0 110.246 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . 0.417 ' N ' HG13 ' A' ' 384' ' ' ILE . 2.2 m-70 -58.1 -47.94 81.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.94 -38.33 81.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.343 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.7 mt -52.96 -57.19 11.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.951 0.405 . . . . 0.0 110.212 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.01 -42.71 98.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.038 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -45.7 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.24 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.15 -40.75 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.232 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.32 -53.63 53.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 109.979 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.81 -44.69 86.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.797 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -35.81 77.75 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.837 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.85 -47.21 87.42 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.779 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.41 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.98 178.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.464 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.19 -36.72 16.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.84 -44.37 96.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -87.98 -1.15 57.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 56.3 t80 -42.05 139.34 1.36 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.415 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.7 p -48.3 -47.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.445 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 135.03 -43.93 1.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.592 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.84 159.21 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.406 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 37.6 tttt -79.25 59.61 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.0 t -123.86 -31.18 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -83.85 156.33 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.005 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.44 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.1 OUTLIER -62.4 -19.38 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 411' ' ' LEU . . . -48.04 -66.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.847 0.355 . . . . 0.0 111.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.438 ' CD1' HD21 ' A' ' 452' ' ' LEU . 8.3 t80 -47.54 -37.84 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.374 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.7 m0 -58.43 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 110.486 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 0.9 OUTLIER -65.44 -26.39 67.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.6 mt -59.9 -67.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.255 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.66 -41.77 95.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.852 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.31 -54.71 43.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 3.3 ttm -58.64 -40.28 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.54 -51.92 67.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 41.7 p -56.82 -48.23 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -56.44 -42.1 77.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.63 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.527 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.65 -48.37 69.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.14 -37.26 79.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.59 -41.96 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.714 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 423' ' ' LEU . 4.3 mm? -67.64 -38.67 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.068 0.461 . . . . 0.0 110.329 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 -19.33 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.349 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.5 m -94.39 -21.34 19.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.699 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -53.02 144.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.774 0.321 . . . . 0.0 111.357 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.73 82.82 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.14 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -100.27 30.61 3.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.824 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -83.85 79.86 1.88 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.6 66.05 1.01 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 105.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.03 -33.94 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.41 -34.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -52.37 65.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.395 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 383' ' ' ILE . . . -61.2 -34.11 74.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.583 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -55.06 35.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.289 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -45.05 86.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.209 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.95 -45.52 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.19 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.14 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.32 -39.61 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 57.3 m -65.39 -44.69 86.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.242 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -63.9 -59.81 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.815 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -51.07 -46.29 30.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.401 ' N ' ' CD1' ' A' ' 445' ' ' ILE . 61.2 tt0 -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.701 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.25 -54.06 24.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 13.9 tt -60.37 -40.84 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -49.63 76.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.501 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.64 -46.15 84.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.94 -37.96 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 409' ' ' TYR . 8.6 mt -62.9 -51.83 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.2 79.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.65 47.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.38 -34.92 75.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.673 0.273 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.54 179.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.395 2.064 . . . . 0.0 112.139 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.09 57.75 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.829 2.353 . . . . 0.0 112.434 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 33.7 p -103.39 -45.05 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.5 tp -69.12 -45.4 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -42.57 -53.77 4.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -63.31 -31.39 72.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.0 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.92 -45.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.358 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -52.55 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.591 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.62 -43.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -49.89 74.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.886 0.374 . . . . 0.0 110.58 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -45.4 87.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -42.37 77.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.66 -38.7 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.02 -56.32 23.56 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.291 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -56.12 -51.05 69.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.066 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -56.34 -41.73 76.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.084 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.76 -45.42 78.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.729 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.84 -46.25 88.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.7 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.9 -38.7 76.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.002 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.35 -43.68 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.371 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.67 -42.52 97.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.95 -14.16 54.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.164 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.2 t80 -48.44 122.86 5.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 110.666 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 10.9 p -42.13 -46.09 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.689 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 117.39 22.87 3.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.712 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.16 142.31 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.019 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -82.16 56.34 3.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 3.6 t -121.6 -31.1 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.22 162.52 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -66.84 -17.48 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.303 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -53.03 -54.11 40.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.484 ' HB2' ' CE1' ' A' ' 400' ' ' PHE . 6.5 t80 -58.43 -37.58 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -58.77 -64.03 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.089 0.471 . . . . 0.0 110.103 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . 0.451 ' HA ' ' CG ' ' A' ' 414' ' ' GLU . 4.0 pp -58.79 -30.81 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.344 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.85 -65.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.806 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -61.78 -55.09 33.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.974 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 411' ' ' LEU . 2.8 pp20? -51.81 -43.92 63.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.616 0.246 . . . . 0.0 111.527 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 40.3 ttm -65.16 -45.11 86.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 110.657 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 393' ' ' LEU . 0.6 OUTLIER -60.96 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.0 p -59.74 -49.63 76.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -57.5 -46.1 84.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.63 81.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -45.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.719 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.29 -45.3 88.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.44 -31.12 63.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.43 -39.07 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -58.74 -19.96 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.302 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 6.1 t -71.93 -20.54 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.392 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.93 139.34 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.808 0.337 . . . . 0.0 111.29 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.0 -74.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.647 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 56.06 80.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -145.05 85.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 111.86 -40.3 2.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.2 113.55 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.85 -40.89 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 m -59.62 -55.0 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.97 -39.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.0 -48.29 80.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.45 -44.73 95.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.356 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.17 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -55.63 -56.97 14.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.697 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -48.08 69.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -48.05 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.91 -52.3 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.736 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 40.3 t -53.53 -40.84 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 9.5 t -61.94 -52.47 63.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.248 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -58.65 -47.67 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.702 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 13.3 mt -55.43 -56.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 110.55 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -62.53 -32.57 73.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.858 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.58 -52.22 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 449' ' ' LEU . 13.7 tt -63.89 -33.15 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . 0.406 ' N ' HG21 ' A' ' 448' ' ' ILE . 0.5 OUTLIER -62.74 -57.71 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 1.5 pt-20 -63.48 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -62.15 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 179.65 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 409' ' ' TYR . 3.8 mt -68.8 -42.18 77.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.93 82.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -31.9 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -99.42 25.12 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.494 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.677 0.275 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.93 106.29 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.691 2.261 . . . . 0.0 111.93 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.98 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.523 2.149 . . . . 0.0 112.759 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.978 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.3 tp -39.52 -32.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.952 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -48.29 -63.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -31.54 69.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 7.3 mm -65.61 -43.24 94.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.42 -41.74 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.59 -54.97 41.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.71 -38.32 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.94 -53.26 58.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.09 -43.14 91.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.928 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -43.33 81.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.116 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.15 -41.71 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.172 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -55.25 -54.59 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.154 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.08 -42.63 81.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.86 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -41.5 97.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.859 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.28 -49.8 73.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.08 -44.57 83.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.675 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.99 -36.97 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.925 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -48.54 88.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.205 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.74 -36.64 81.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.113 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -82.29 -13.07 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 68.8 t80 -41.93 137.98 1.64 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.48 -48.27 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.573 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 136.36 -41.47 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.803 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -106.52 151.06 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.019 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 11.1 tttt -78.92 58.45 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.6 t -123.1 -31.15 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.03 159.97 23.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.446 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -65.89 -15.6 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.356 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.19 -57.27 10.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 412' ' ' LEU . 7.0 t80 -57.91 -36.51 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.4 m0 -57.08 -63.13 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.449 . . . . 0.0 110.137 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.62 -25.6 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.54 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 409' ' ' TYR . 10.0 mt -58.78 -67.29 0.38 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -42.24 98.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -56.55 17.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 13.7 ttm -60.6 -41.47 94.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.701 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -43.78 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 47.1 p -64.01 -40.19 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -58.52 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -57.28 -36.73 71.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.99 -53.74 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.72 -40.17 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.669 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.1 -32.55 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.719 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.7 tp -72.92 -37.33 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.27 -13.66 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.485 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 8.2 m -71.9 -31.36 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.673 0.273 . . . . 0.0 111.155 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.26 155.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.45 -64.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' THR . . . . . 0.418 ' CG2' ' CB ' ' A' ' 431' ' ' GLN . 86.2 m 64.76 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 123.62 -73.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -148.4 25.66 1.38 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.647 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . 0.418 ' CB ' ' CG2' ' A' ' 428' ' ' THR . 3.2 tp60 -81.05 127.82 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.47 -25.38 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 99.1 p -62.25 -69.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.99 -26.66 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -60.82 -56.71 17.9 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -46.85 86.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.134 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -60.81 -32.32 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.9 OUTLIER -66.69 -62.34 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.498 179.581 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 1.6 mmtt -52.7 -38.48 60.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.458 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.38 -43.52 94.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.11 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.03 -56.01 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.716 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.542 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 17.1 m -50.36 -43.76 22.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.71 -47.65 77.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.91 -57.36 11.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 2.5 pp -52.05 -47.86 42.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.804 0.335 . . . . 0.0 110.792 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -32.97 73.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -66.19 -52.63 46.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.628 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 19.3 tt -63.43 -37.77 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.733 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.68 -55.43 33.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.625 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -60.91 -37.55 82.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.44 -47.29 86.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.71 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.436 HD22 ' CD1' ' A' ' 409' ' ' TYR . 8.2 mt -67.89 -37.27 81.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.738 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -43.3 98.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.17 -35.26 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -34.76 64.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.682 0.277 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . 0.417 ' CB ' ' CD ' ' A' ' 378' ' ' PRO . 62.1 Cg_exo -51.57 -173.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.276 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 377' ' ' PRO . 95.0 Cg_endo -81.94 40.71 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.499 2.133 . . . . 0.0 113.051 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.3 t -103.41 -38.9 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.424 . . . . 0.0 110.565 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 380' ' ' ILE . 0.1 OUTLIER -76.66 -36.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.233 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -57.84 -35.42 70.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -70.09 -48.77 56.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . . . . . . . . . 9.0 tp -67.82 -38.43 80.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.593 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 20.2 tt -68.35 -45.17 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 0.0 110.571 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -56.24 24.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.232 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 27.8 m -59.05 -35.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.345 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.92 -48.64 80.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.96 -48.49 81.34 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.7 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 63.1 t -60.1 -37.11 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.374 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.31 -55.87 29.18 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.71 -42.9 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.703 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -36.9 83.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.977 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.68 -46.8 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.043 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.98 -42.12 98.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.114 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.12 -57.82 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.728 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.39 -36.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.38 -37.43 80.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.348 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.2 -5.68 57.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.303 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 409' ' ' TYR . 73.7 t80 -47.18 145.23 2.33 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.2 p -45.33 -51.75 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.733 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 121.0 23.59 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.79 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -148.1 142.23 26.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -84.77 55.85 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 6.6 t -122.7 -30.98 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.59 162.39 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.009 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.443 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -74.72 -19.37 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.36 -57.75 8.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 400' ' ' PHE . 74.0 t80 -51.9 -39.1 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.443 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.6 m0 -58.0 -60.57 3.52 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.055 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.13 -25.55 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.622 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 11.6 mt -59.98 -67.6 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.068 0.461 . . . . 0.0 110.17 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.14 -44.58 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.47 -55.99 25.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 14.0 tpp -56.23 -45.9 79.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.602 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 448' ' ' ILE . 12.2 tp -60.28 -42.43 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 20.5 m -58.49 -49.35 77.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -58.45 -48.66 80.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.17 -39.88 76.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.736 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.81 -52.72 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.39 -31.85 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.73 -54.86 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.9 -26.78 68.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.111 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -55.46 -22.48 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.1 m -94.88 38.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 111.292 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.6 p -92.9 142.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.7 68.39 1.54 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 111.028 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.6 t -62.05 -49.72 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 69.67 -65.78 0.62 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 177.85 52.63 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.412 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -107.02 133.79 51.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.36 -46.3 89.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -53.29 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.81 -39.8 78.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -47.6 85.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -59.98 -56.16 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.73 69.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.602 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -62.12 -58.67 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.92 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.609 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.74 -54.24 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.35 -48.66 78.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . . . . . . . . . 24.4 t -59.86 -34.36 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.555 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 7.4 m -65.88 -44.89 83.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.173 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.735 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . . . . . . . . . 1.8 pp -51.11 -48.98 30.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.46 -25.31 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.148 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.68 67.42 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.849 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 416' ' ' LEU . 1.7 mp -70.47 -46.49 70.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.0 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.68 -50.58 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.596 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.36 -51.66 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.663 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -38.78 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.656 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.79 -36.07 81.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -39.78 77.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.37 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -86.51 -32.62 20.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.6 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' PRO . . . . . 0.548 ' N ' ' HD2' ' A' ' 378' ' ' PRO . 50.1 Cg_exo -53.34 -47.76 25.66 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.823 2.348 . . . . 0.0 113.213 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 377' ' ' PRO . 40.5 Cg_endo -68.15 -21.92 41.62 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.078 1.852 . . . . 0.0 112.772 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 7.5 m -93.91 -27.36 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 3.3 tt -94.3 -36.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.337 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -40.35 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -56.75 15.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.044 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 383' ' ' ILE . 33.9 pt -55.17 -37.6 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 37.0 mt -63.35 -50.24 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.533 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.34 -54.14 47.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.602 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . . 25.4 m -59.42 -34.42 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -50.12 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -44.51 96.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.235 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -54.46 45.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.24 -32.65 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.441 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.09 -55.63 32.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.86 -40.23 83.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.638 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -47.15 87.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.048 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -56.17 -43.37 78.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.131 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.01 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.17 -56.66 18.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' VAL . . . . . 0.421 ' CG1' ' CD2' ' A' ' 412' ' ' LEU . 17.9 m -54.9 -38.93 46.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.843 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.38 -45.34 94.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.15 -4.3 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.321 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' PHE . . . . . 0.482 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 85.9 t80 -47.1 123.59 5.53 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 7.5 p -45.15 -45.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.516 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 118.23 20.7 4.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -148.19 148.34 30.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 7.5 tmtt? -84.85 55.1 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.4 m -123.31 -31.18 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.36 167.12 16.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . 0.439 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -70.72 -17.8 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.877 0.37 . . . . 0.0 111.245 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' TYR . . . . . 0.482 ' HB2' ' HE1' ' A' ' 400' ' ' PHE . 2.5 t80 -50.93 -39.16 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' TRP . . . . . 0.439 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.3 m0 -56.91 -65.19 0.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.939 0.399 . . . . 0.0 110.303 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.02 -28.29 69.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 24.0 mt -58.27 -70.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.7 -59.24 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 42.0 tpp -56.84 -36.18 69.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 448' ' ' ILE . 0.3 OUTLIER -58.75 -55.73 31.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 7.5 p -58.66 -45.88 88.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.5 -50.53 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.6 -41.44 90.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -52.09 67.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.39 -38.81 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -69.97 -38.08 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.89 -37.38 81.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.09 -21.19 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 3.1 m -94.85 37.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.299 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.33 119.99 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -67.03 141.08 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.1 t -162.37 88.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.36 73.96 1.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.417 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 77.54 38.18 29.0 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 123.02 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.76 -43.35 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -66.16 -43.65 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.48 -41.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.45 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -52.3 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.78 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -61.04 -56.6 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.563 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 31.5 mmtt -59.87 -34.37 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.429 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.43 -44.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.7 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' VAL . . . . . 0.563 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.3 m -51.13 -42.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 41.8 m -67.21 -41.04 86.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.21 -54.26 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 442' ' ' VAL . 1.9 pp -54.82 -51.1 55.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.809 0.337 . . . . 0.0 110.689 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -66.92 -28.17 68.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 110.059 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -62.99 -60.52 3.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.728 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.446 ' CD1' ' CD2' ' A' ' 416' ' ' LEU . 1.1 pt -65.68 -30.65 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.745 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.67 -52.59 56.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.02 0.438 . . . . 0.0 110.261 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.93 97.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.317 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -38.05 79.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.4 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 409' ' ' TYR . 8.1 mt -65.61 -48.79 71.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.738 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.06 -39.66 82.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -36.77 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -78.03 -34.52 50.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.605 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.582 0.23 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 383' ' ' ILE . 2.2 tp -37.59 -32.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 384' ' ' ILE . 12.1 tttt -52.35 -38.46 58.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -57.76 6.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.299 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 1.041 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.2 pp -55.84 -32.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.812 0.339 . . . . 0.0 111.022 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.498 HD11 ' CG1' ' A' ' 380' ' ' ILE . 30.0 mt -67.72 -50.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -56.19 -54.43 45.24 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.778 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.6 m -59.8 -35.66 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.462 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 383' ' ' ILE . 8.3 mt -58.05 -50.21 74.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.057 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.47 -45.09 94.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.948 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -45.92 84.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 386' ' ' VAL . 57.9 t -63.03 -34.75 68.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.294 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.53 -54.46 45.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -56.09 -45.52 79.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.853 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.943 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 397' ' ' VAL . 6.1 tt0 -57.33 -49.57 75.7 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.747 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.566 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.32 -55.78 24.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.4 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.77 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.8 m -56.11 -36.92 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -41.63 98.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.979 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.86 -4.8 58.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.8 t80 -41.08 127.36 2.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.828 0.346 . . . . 0.0 111.282 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.1 p -43.86 -45.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.488 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.49 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 115.72 25.45 3.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.622 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.17 124.35 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CG ' ' CD2' ' A' ' 409' ' ' TYR . 7.0 ttpt -61.74 -15.64 42.6 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.6 p -72.7 -21.68 61.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.05 147.2 45.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 9.6 tttp -62.6 -25.95 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.79 -50.97 62.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.728 ' HA ' HD12 ' A' ' 412' ' ' LEU . 9.5 t80 -59.11 -38.55 79.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 48.9 m0 -58.05 -61.26 2.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.151 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.2 pp -63.94 -27.56 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.921 HD23 HD23 ' A' ' 393' ' ' LEU . 11.6 mt -58.84 -68.37 0.27 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.12 -38.07 87.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 37.2 tpp -59.1 -38.83 80.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -63.35 -46.06 88.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.735 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.1 m -60.08 -50.19 74.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 386' ' ' VAL . 4.2 tp10 -58.8 -43.67 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.673 ' CD1' HD13 ' A' ' 445' ' ' ILE . 1.2 tt -61.69 -50.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.32 -31.51 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.689 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.5 pp -59.34 -29.49 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.35 -22.82 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 5.1 m -96.05 37.96 1.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 379' ' ' SER . 8.0 p -87.1 141.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -108.3 105.68 15.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.1 t -98.36 -47.32 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 428' ' ' THR . . . 55.08 26.94 43.98 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 102.25 58.43 0.78 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.585 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -124.9 121.15 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.66 -44.25 93.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -56.49 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.65 -35.09 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -59.98 -58.6 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.68 -47.56 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -63.1 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -59.35 -57.59 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.689 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -47.58 81.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.9 -42.28 89.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.38 77.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 438' ' ' ARG . 15.5 t -60.23 -39.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.6 OUTLIER -62.23 -47.37 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -61.99 -62.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.673 HD13 ' CD1' ' A' ' 420' ' ' LEU . 1.9 pp -48.5 -48.1 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.82 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.58 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.1 tt0 -68.59 -30.24 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.032 0.444 . . . . 0.0 109.93 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -68.73 -49.53 58.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.621 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 416' ' ' LEU . 14.7 tt -64.66 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.841 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 416' ' ' LEU . 1.2 tp -63.19 -49.07 75.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.586 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -43.08 96.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -60.31 -44.16 95.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.16 -42.73 86.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -66.25 -36.23 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -97.26 25.05 5.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.47 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.699 ' HB2' HG21 ' A' ' 434' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.633 0.254 . . . . 0.0 111.386 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.505 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.9 OUTLIER -80.71 -43.24 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 0.0 111.338 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -57.39 -40.11 77.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.042 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -63.3 -55.96 20.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 437' ' ' ALA . 46.7 pt -57.26 -36.25 51.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 380' ' ' ILE . 33.2 mt -65.8 -48.37 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.463 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -56.88 -53.02 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.863 HG21 HD12 ' A' ' 423' ' ' LEU . 23.1 m -58.75 -39.24 76.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.744 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 387' ' ' LEU . 14.0 mt -56.97 -54.43 46.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -42.47 83.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -47.33 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 444' ' ' LYS . 49.0 t -61.98 -39.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.55 -55.63 29.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.1 -38.82 77.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.759 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 397' ' ' VAL . 5.5 mt -63.59 -44.41 94.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.043 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.28 -49.71 71.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.993 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.81 -42.32 88.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.729 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.25 -35.8 80.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.083 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 393' ' ' LEU . 39.9 t -64.89 -47.33 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.307 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.95 -38.31 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.21 -16.9 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.483 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 86.8 t80 -47.59 122.58 4.94 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.7 p -45.76 -43.08 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.39 18.3 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.711 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.485 ' H ' HG13 ' A' ' 401' ' ' VAL . 8.3 mmmm -148.1 158.88 44.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.338 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.2 ttmm -90.55 47.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.1 m -116.36 -30.97 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -85.33 168.79 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -74.88 -15.2 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.64 -56.92 10.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 412' ' ' LEU . 4.2 t80 -56.67 -38.92 72.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -56.49 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -60.91 -30.17 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 1.004 HD13 HD11 ' A' ' 452' ' ' LEU . 13.4 mt -56.36 -70.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.641 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.46 -31.57 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -68.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.802 ' HG3' HD11 ' A' ' 393' ' ' LEU . 12.3 ptp -62.2 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.694 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.866 HD13 HD12 ' A' ' 449' ' ' LEU . 13.9 mt -59.6 -57.53 12.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.581 ' HA ' HD21 ' A' ' 420' ' ' LEU . 26.8 m -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -42.25 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.528 ' HG2' HG12 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -60.34 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 421' ' ' LEU . 3.1 pp -56.62 -39.48 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 420' ' ' LEU . 32.2 tp -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.641 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.863 HD12 HG21 ' A' ' 386' ' ' VAL . 6.6 tt -61.98 -46.37 89.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.805 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -55.51 -21.77 18.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.218 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 58.0 m -94.8 25.75 3.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.353 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.783 HG23 ' HB2' ' A' ' 382' ' ' LYS . 11.7 p -82.01 124.71 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.84 74.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 m -98.08 83.05 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.28 -67.23 2.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.579 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -162.41 47.31 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 434' ' ' VAL . 5.5 tp60 -97.85 126.74 43.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.46 -44.58 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -49.73 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 379' ' ' SER . 22.7 t -62.97 -35.07 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.52 26.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.07 -42.11 84.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.341 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -64.89 -34.63 78.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.8 ttt-85 -63.56 -56.17 18.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.434 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 9.5 ttpt -60.2 -35.93 76.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.342 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.66 -42.77 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.86 -58.14 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 11.3 m -47.6 -44.59 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.936 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -65.89 -42.83 89.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.177 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.658 ' HG2' HG11 ' A' ' 390' ' ' VAL . 3.7 tttt -65.38 -58.17 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.868 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.5 pp -51.56 -46.64 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.572 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.726 ' N ' HD12 ' A' ' 445' ' ' ILE . 13.7 tp60 -68.93 -33.5 73.84 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.92 -51.34 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.548 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 397' ' ' VAL . 15.5 tt -63.45 -38.16 81.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.561 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.866 HD12 HD13 ' A' ' 416' ' ' LEU . 1.2 mp -61.17 -50.66 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.454 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.66 -43.69 97.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -58.75 -43.18 90.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -64.16 -46.25 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.96 -40.85 85.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -68.57 -41.25 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -73.65 -35.01 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.452 -1.194 . . . . 0.0 112.561 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.441 ' CB ' HG23 ' A' ' 426' ' ' VAL . 22.9 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.584 0.231 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.84 ' CD1' HD11 ' A' ' 383' ' ' ILE . 0.5 OUTLIER -41.43 -32.87 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.846 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -48.8 -31.83 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 386' ' ' VAL . 4.9 mmtp -67.25 -54.76 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.817 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 380' ' ' ILE . 5.6 pt -59.67 -30.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 381' ' ' LYS . 18.6 mt -70.58 -51.58 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.96 -51.76 67.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 423' ' ' LEU . 10.5 p -61.92 -41.01 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 386' ' ' VAL . 9.2 mt -53.65 -54.49 37.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.649 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.06 -47.09 87.33 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.361 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -46.1 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.0 t -60.4 -40.35 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.361 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.47 -52.15 66.55 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.092 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.849 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.6 OUTLIER -62.46 -41.12 98.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 179.137 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.92 -50.52 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.955 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.4 -42.45 82.25 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.872 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' GLU . . . . . 0.496 ' HG3' HD21 ' A' ' 412' ' ' LEU . 8.8 tp10 -62.54 -37.64 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.99 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 393' ' ' LEU . 51.8 t -61.41 -47.7 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.342 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.33 -37.16 86.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.383 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.81 -12.71 57.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.208 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 57.9 t80 -43.56 138.9 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.876 0.37 . . . . 0.0 111.18 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.2 p -49.82 -47.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.483 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.25 -44.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.711 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -108.45 157.2 18.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -76.68 60.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 4.8 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.71 155.27 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 11.3 tttt -62.6 -18.45 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.79 -61.64 2.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.373 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.63 ' CE1' HD22 ' A' ' 452' ' ' LEU . 2.6 t80 -49.87 -39.75 40.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.6 m0 -57.74 -63.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.162 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -62.53 -25.64 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 452' ' ' LEU . 11.1 mt -59.6 -65.39 0.68 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 416' ' ' LEU . 5.7 pt-20 -63.88 -36.39 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.908 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 413' ' ' GLU . 3.7 tt0 -60.2 -57.36 13.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.401 ' HB3' HD11 ' A' ' 393' ' ' LEU . 4.0 tpp -59.68 -39.66 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 449' ' ' LEU . 14.5 mt -60.23 -50.88 71.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 22.3 p -58.67 -46.76 86.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -51.33 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 386' ' ' VAL . 1.1 tp10 -58.58 -41.16 85.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.43 -51.36 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.66 -32.22 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.35 -58.06 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 386' ' ' VAL . 2.9 pp -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.59 -20.93 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.266 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 25.0 p -93.72 38.02 1.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.757 0.313 . . . . 0.0 111.337 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.441 HG23 ' CB ' ' A' ' 379' ' ' SER . 12.3 p -101.25 136.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.074 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.16 116.84 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.496 HG21 ' HD3' ' A' ' 438' ' ' ARG . 10.0 t -136.79 31.38 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.06 49.79 3.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 138.43 44.82 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -155.28 109.5 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.27 -31.17 67.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -62.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 426' ' ' VAL . 25.2 t -59.87 -32.13 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -59.31 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.553 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.04 83.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.833 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -63.97 -36.39 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.758 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.6 OUTLIER -60.59 -54.58 43.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.504 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -59.95 -42.89 95.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.1 -46.17 91.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.502 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.77 93.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 438' ' ' ARG . 27.3 t -63.5 -41.34 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.4 t -63.14 -45.25 92.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.501 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -62.52 -60.96 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 446' ' ' GLN . 1.9 pp -49.34 -48.4 18.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.595 ' N ' HD12 ' A' ' 445' ' ' ILE . 5.1 mt-30 -68.32 -31.96 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.875 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.74 -53.97 33.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.592 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 416' ' ' LEU . 13.4 tt -62.15 -39.02 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.561 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 416' ' ' LEU . 1.3 mp -58.92 -56.49 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.38 -35.06 74.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.09 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 412' ' ' LEU . 11.2 mt -67.8 -40.67 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.759 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -38.6 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -76.58 -37.07 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 25.06 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.449 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.799 ' OG ' HG21 ' A' ' 434' ' ' VAL . 6.2 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.574 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.8 OUTLIER -75.08 -36.99 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.311 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -42.02 81.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -64.07 -55.08 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.6 tp -58.38 -36.51 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.174 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.574 HD11 ' CG1' ' A' ' 380' ' ' ILE . 49.7 mt -64.88 -47.62 87.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.398 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -56.98 -54.16 49.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.445 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 423' ' ' LEU . 24.2 m -58.89 -35.31 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.52 -49.51 77.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.109 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.98 -44.32 91.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.993 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.403 ' HD2' ' CG ' ' A' ' 415' ' ' MET . 0.6 OUTLIER -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.065 179.055 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.1 t -63.6 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -56.85 -51.71 67.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.837 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.3 -45.45 84.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.659 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -61.71 -36.09 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 397' ' ' VAL . 1.2 tm-20 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.025 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.37 -42.55 99.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.9 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.37 -58.39 8.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.509 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.684 HG12 HD13 ' A' ' 412' ' ' LEU . 34.9 m -52.67 -36.93 23.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.622 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.27 -44.62 94.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -84.34 -4.57 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.936 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 84.6 t80 -41.2 136.38 1.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.374 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 402' ' ' GLY . 3.8 p -45.82 -51.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.628 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.73 -35.07 2.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.667 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 154.06 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.416 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 9.6 tttm -82.14 55.97 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -8.8 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -104.04 155.2 18.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.733 0.302 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.431 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.9 OUTLIER -60.91 -19.35 60.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.26 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.22 -62.54 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.385 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.698 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.5 t80 -52.37 -36.1 52.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.6 m0 -58.67 -63.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.272 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 1.1 pp -63.16 -27.21 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.2 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 393' ' ' LEU . 12.4 mt -57.46 -71.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.365 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' A' ' 416' ' ' LEU . 10.8 mm-40 -59.01 -42.15 89.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.947 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.77 -55.73 28.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 393' ' ' LEU . 33.1 tpp -58.18 -39.72 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.652 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 413' ' ' GLU . 15.7 mt -59.6 -53.49 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -46.58 80.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -46.74 84.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -45.75 89.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.6 ' HG ' HG21 ' A' ' 445' ' ' ILE . 12.8 mt -58.17 -53.4 58.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.88 -30.86 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.17 -60.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.796 ' HB3' HG11 ' A' ' 386' ' ' VAL . 2.8 pp -59.76 -29.39 68.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.017 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.26 -22.28 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.5 m -95.89 38.2 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.178 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.3 p -89.82 147.35 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -114.84 79.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.4 t -73.56 -47.98 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.448 ' N ' HG23 ' A' ' 428' ' ' THR . . . 53.54 24.37 23.89 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.572 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 103.72 98.83 2.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -165.56 122.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -45.67 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -55.38 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.799 HG21 ' OG ' ' A' ' 379' ' ' SER . 35.7 t -58.14 -41.71 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -45.34 91.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.63 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.94 -53.41 57.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.452 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.47 -34.01 72.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.597 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 442' ' ' VAL . 1.7 ttt85 -62.43 -62.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -44.82 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.996 0.427 . . . . 0.0 110.831 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.88 -53.02 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.57 -47.19 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 438' ' ' ARG . 43.4 t -55.17 -41.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.3 m -63.51 -50.25 70.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.269 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -57.28 -48.88 77.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 442' ' ' VAL . 9.2 mt -55.49 -52.57 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.55 -28.34 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.931 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -70.53 -47.28 61.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.734 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 445' ' ' ILE . 11.0 tt -66.54 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.3 mp -65.63 -54.74 23.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.589 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.45 -41.5 85.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.94 -46.55 89.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.698 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.0 mt -59.89 -47.15 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.93 -42.48 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -52.91 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.768 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -67.49 -35.04 78.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.565 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 434' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 1.0 OUTLIER -97.99 -46.71 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.33 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 380' ' ' ILE . 6.1 tttm -47.29 -32.77 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -66.95 -60.48 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.971 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.5 tp -57.39 -35.31 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.034 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 45.6 mt -65.25 -47.92 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 381' ' ' LYS . 57.5 m170 -56.53 -53.72 54.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.336 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 390' ' ' VAL . 22.7 m -59.43 -34.9 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -51.6 69.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.124 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -45.37 90.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.949 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.81 -40.88 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.035 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 386' ' ' VAL . 58.0 t -64.35 -39.89 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -52.54 65.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.02 -45.43 83.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.771 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.673 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.61 -34.38 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.819 178.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.469 ' O ' HG12 ' A' ' 397' ' ' VAL . 10.9 tt0 -60.08 -49.2 78.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.877 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -39.53 92.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.775 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.0 -56.58 19.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.491 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.737 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.2 p -56.72 -35.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.399 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.048 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.26 -4.9 58.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.176 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 48.2 t80 -41.98 142.09 0.76 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.916 0.389 . . . . 0.0 111.334 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 402' ' ' GLY . 5.5 p -49.83 -48.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.478 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.76 -39.45 1.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.574 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -111.42 142.68 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 62.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.91 -31.16 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.61 158.55 24.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -57.54 -23.18 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.29 -64.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.227 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.746 ' CE1' HD23 ' A' ' 452' ' ' LEU . 23.6 t80 -47.59 -39.56 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.2 m0 -57.72 -64.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.315 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.1 pp -62.96 -25.15 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.627 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 452' ' ' LEU . 13.2 mt -59.57 -67.89 0.34 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.064 0.459 . . . . 0.0 110.49 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.3 tt0 -63.05 -38.49 91.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.27 -54.98 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.435 ' HB3' HD11 ' A' ' 393' ' ' LEU . 17.5 tpp -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.694 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 393' ' ' LEU . 10.2 mt -58.82 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.0 p -59.98 -43.53 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -57.79 -55.26 37.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.829 ' OE2' HG22 ' A' ' 390' ' ' VAL . 18.6 pt-20 -59.17 -36.83 75.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.683 HD23 ' OD2' ' A' ' 424' ' ' ASP . 1.0 OUTLIER -60.02 -53.36 58.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.21 -33.94 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.07 -60.29 4.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.757 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.9 pp -64.71 -31.56 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.683 ' OD2' HD23 ' A' ' 420' ' ' LEU . 19.5 m-20 -54.26 -24.97 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.99 37.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.31 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -96.13 97.21 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.893 ' OG1' HG11 ' A' ' 434' ' ' VAL . 46.2 m -135.92 97.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.66 28.58 12.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 145.55 61.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.584 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -132.89 116.47 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.38 -42.46 98.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' SER . . . . . 0.493 ' CB ' HD13 ' A' ' 380' ' ' ILE . 0.7 OUTLIER -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.893 HG11 ' OG1' ' A' ' 428' ' ' THR . 38.4 t -58.92 -38.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -53.54 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -58.23 -54.07 51.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.724 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.764 ' O ' HG13 ' A' ' 442' ' ' VAL . 16.2 ttt85 -62.47 -55.67 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -60.93 -37.37 82.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.344 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.31 -47.34 70.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.988 0.423 . . . . 0.0 110.114 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.971 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -67.14 -51.67 51.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 438' ' ' ARG . 26.3 m -53.4 -44.99 56.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.496 ' N ' HG23 ' A' ' 442' ' ' VAL . 49.8 t -63.41 -45.76 89.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -56.73 15.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.6 pt -52.63 -44.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.475 ' N ' HG13 ' A' ' 445' ' ' ILE . 28.5 mm-40 -71.13 -31.75 68.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.202 0.525 . . . . 0.0 109.813 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.32 69.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.508 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 416' ' ' LEU . 16.1 tt -67.95 -38.53 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.734 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.4 mp -61.88 -50.79 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.6 -42.42 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.683 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -60.37 -39.12 86.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.837 HD11 HD13 ' A' ' 412' ' ' LEU . 0.2 OUTLIER -72.29 -45.55 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -30.38 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -55.08 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -34.92 78.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 434' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 111.131 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.54 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.7 OUTLIER -65.91 -45.24 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 0.0 111.514 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.0 OUTLIER -55.19 -40.3 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.199 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.665 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -64.23 -55.58 20.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 434' ' ' VAL . 35.5 pt -56.28 -35.69 43.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.54 HD11 ' CG1' ' A' ' 380' ' ' ILE . 26.1 mt -66.66 -52.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.7 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -57.21 -56.08 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 423' ' ' LEU . 30.1 m -57.98 -37.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.79 -52.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.22 -44.75 92.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.447 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -56.43 -46.32 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.538 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 386' ' ' VAL . 99.1 t -63.78 -38.27 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.2 -54.29 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 110.059 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.07 -44.58 87.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.94 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.693 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -61.5 -38.18 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.165 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG12 ' A' ' 397' ' ' VAL . 8.5 mt-10 -60.05 -47.82 84.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.066 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -60.87 -44.28 97.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.223 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.39 -57.76 11.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 452' ' ' LEU . 9.7 p -54.4 -36.13 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.705 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -41.56 98.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.377 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.36 -2.43 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.25 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 92.4 t80 -44.92 140.63 2.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.563 HG13 ' H ' ' A' ' 402' ' ' GLY . 2.5 p -45.05 -57.71 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.812 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.563 ' H ' HG13 ' A' ' 401' ' ' VAL . . . 141.97 -29.75 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.594 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -115.29 151.9 33.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 409' ' ' TYR . 1.5 ttmp? -77.9 61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -30.98 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.194 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.98 149.94 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 4.1 mttt -59.86 -23.51 63.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.68 -45.82 58.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 452' ' ' LEU . 26.3 t80 -60.86 -41.72 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 37.4 m0 -57.25 -57.26 13.4 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.5 pp -66.89 -30.02 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.855 HD13 HD21 ' A' ' 452' ' ' LEU . 9.8 mt -55.95 -68.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 110.347 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.42 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.805 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.38 -56.51 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.0 mmt -56.45 -39.58 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.022 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -56.56 -57.54 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 59.8 p -56.1 -43.91 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -54.82 -51.02 67.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 386' ' ' VAL . 5.3 tp10 -60.75 -42.99 98.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 445' ' ' ILE . 6.6 tt -57.42 -51.3 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.2 -41.75 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -29.52 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 386' ' ' VAL . 7.2 tt -74.17 -36.35 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.44 -20.0 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 71.1 m -71.89 -26.7 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.311 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 423' ' ' LEU . 10.7 p -56.1 141.88 12.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.813 0.34 . . . . 0.0 111.164 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -116.04 99.1 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 428' ' ' THR . 9.8 t -92.32 75.96 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.55 70.51 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.693 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 106.48 -25.52 22.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.697 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' GLN . . . . . 0.663 ' HG2' HG23 ' A' ' 434' ' ' VAL . 11.1 tt0 -59.77 96.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.985 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.26 -36.83 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -53.71 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.829 ' HA ' HD13 ' A' ' 383' ' ' ILE . 21.2 t -62.69 -34.64 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.777 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -54.51 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.395 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -59.44 -49.77 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.33 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.42 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.5 mtp180 -64.27 -59.19 4.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.546 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.4 OUTLIER -57.54 -37.47 73.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.406 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.25 -40.6 94.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.1 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -55.27 14.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.546 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.9 m -50.31 -46.89 26.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 442' ' ' VAL . 2.0 m -64.26 -43.48 94.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.305 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -54.88 30.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 420' ' ' LEU . 29.2 pt -54.25 -44.51 65.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.465 ' N ' HG13 ' A' ' 445' ' ' ILE . 2.8 mt-30 -71.26 -30.82 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.59 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.755 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 1.022 HD13 HD21 ' A' ' 416' ' ' LEU . 11.2 tt -67.9 -42.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.923 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.463 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -63.98 -48.42 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.54 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -59.86 -37.96 80.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.855 HD21 HD13 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -63.86 -49.33 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.48 -40.96 93.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -67.94 -42.54 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -35.04 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.508 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.823 0.344 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 433' ' ' SER . 11.0 tt -77.02 -36.84 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.9 tttp -47.47 -47.73 27.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.579 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER -59.88 -45.41 92.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.781 HG21 ' HB1' ' A' ' 437' ' ' ALA . 5.4 mm -64.11 -34.0 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 381' ' ' LYS . 16.5 mt -66.51 -45.29 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.27 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -60.33 -55.86 28.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.381 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.911 HG11 HD13 ' A' ' 423' ' ' LEU . 7.7 p -57.59 -36.03 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.33 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -61.15 -44.82 96.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 389' ' ' LYS . 0.2 OUTLIER -60.3 -42.51 95.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.909 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.2 t -63.03 -37.5 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -61.16 -55.88 27.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.885 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -58.44 -42.33 87.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.815 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.793 HD22 ' CD2' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.4 -39.69 94.09 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.949 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.441 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.3 mt-10 -59.19 -46.07 89.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.992 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 399' ' ' GLU . 0.0 OUTLIER -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.03 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.14 -59.07 6.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.498 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.499 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.7 p -52.81 -36.85 24.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.231 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 399' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' A' ' 395' ' ' GLN . 15.8 mt-10 -90.05 -2.16 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.368 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 81.8 t80 -43.52 120.9 2.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 111.272 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.8 p -46.29 -42.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.459 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.81 27.04 2.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.512 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -146.23 132.66 19.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -8.97 57.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.581 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 62.4 p -72.74 -28.09 62.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.657 0.265 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.5 162.31 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 11.9 ptpt -72.05 -25.68 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.88 25.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.662 ' HA ' HD12 ' A' ' 412' ' ' LEU . 5.4 t80 -57.37 -39.2 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.1 m0 -56.93 -65.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.991 0.424 . . . . 0.0 110.286 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.4 pp -63.08 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.356 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 393' ' ' LEU . 8.2 mt -55.76 -67.41 0.29 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -40.61 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.1 -57.25 13.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.755 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.519 ' HB3' HD11 ' A' ' 393' ' ' LEU . 2.5 mtt -58.86 -37.51 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -59.24 -55.47 34.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -43.05 89.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -55.35 -60.2 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 386' ' ' VAL . 67.1 mm-40 -58.08 -34.98 70.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 420' ' ' LEU . 8.4 tt -58.72 -50.77 72.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.63 -41.97 95.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -64.63 -32.86 74.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.911 HD13 HG11 ' A' ' 386' ' ' VAL . 53.0 tp -71.62 -52.38 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.5 -24.21 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 2.6 m -97.43 38.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 383' ' ' ILE . 14.9 p -104.13 142.71 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 150.6 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.4 t -165.46 76.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -78.41 61.73 3.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.85 16.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -103.8 113.13 26.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -57.02 -32.47 66.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' SER . . . . . 0.873 ' HB2' HD12 ' A' ' 380' ' ' ILE . 22.6 p -58.95 -57.89 11.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.479 HG11 ' HB ' ' A' ' 428' ' ' THR . 88.1 t -67.58 -27.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -38.73 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.338 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.781 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -65.9 -33.34 75.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.849 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 442' ' ' VAL . 5.5 ttt180 -70.46 -57.02 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -55.12 -47.86 74.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.91 -44.46 94.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.248 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.61 96.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 438' ' ' ARG . 21.9 t -58.8 -48.67 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.7 OUTLIER -59.96 -39.57 86.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.312 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -58.77 5.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 446' ' ' GLN . 20.3 pt -50.82 -44.68 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 445' ' ' ILE . 22.3 mt-30 -71.3 -33.21 69.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.55 -48.17 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.636 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 416' ' ' LEU . 8.9 tt -65.47 -44.54 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.755 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -57.88 -51.67 68.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.519 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -44.11 92.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.19 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.622 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 412' ' ' LEU . 3.0 mt -65.44 -47.67 75.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.49 -37.99 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -77.98 -30.56 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -103.5 25.13 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.876 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.8 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.589 0.233 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 384' ' ' ILE . 3.2 tt -43.24 -30.09 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.872 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.817 ' HA ' HD12 ' A' ' 384' ' ' ILE . 4.6 mmtt -45.8 -58.55 3.41 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.966 0.412 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.806 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.5 OUTLIER -60.6 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.302 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.92 HD11 HG21 ' A' ' 426' ' ' VAL . 16.5 mm -69.44 -36.36 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.2 mt -68.54 -46.27 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.322 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.53 -56.97 14.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.336 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 382' ' ' LYS . 21.3 m -58.18 -35.55 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.16 -49.97 75.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -58.7 -44.42 90.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.003 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.81 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.152 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 386' ' ' VAL . 56.3 t -62.21 -38.36 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.304 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.95 -53.75 53.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.067 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.29 -44.15 88.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.776 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.2 OUTLIER -60.41 -40.49 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.966 179.189 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.38 -49.47 77.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.954 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -56.71 -43.79 80.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.76 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.55 -38.36 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.996 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.883 HG21 HG13 ' A' ' 448' ' ' ILE . 47.9 t -61.21 -49.73 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.144 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.51 -36.02 75.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.192 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.25 -14.89 52.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.998 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.4 t80 -43.06 121.1 2.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.865 0.364 . . . . 0.0 111.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.9 p -44.71 -43.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.521 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.29 26.7 2.85 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.614 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.2 131.48 18.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -11.3 58.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.545 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.1 m -72.73 -24.34 60.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.732 0.301 . . . . 0.0 110.951 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -74.41 151.23 39.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 26.8 tttt -64.79 -23.67 67.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.38 -53.98 31.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.414 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.705 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.9 t80 -57.3 -40.23 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.437 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.9 m0 -57.03 -63.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.171 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.28 -31.62 71.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.945 HD13 HD11 ' A' ' 452' ' ' LEU . 11.0 mt -53.91 -67.54 0.25 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.71 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 417' ' ' THR . 0.9 OUTLIER -63.14 -35.36 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.74 -64.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.665 ' HB3' HD11 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -56.01 -43.57 77.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.903 HD21 HG23 ' A' ' 448' ' ' ILE . 12.2 tp -60.03 -52.63 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 413' ' ' GLU . 15.0 p -54.02 -46.96 71.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -58.59 -42.58 88.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -58.47 -47.74 83.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -58.6 -52.65 64.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.677 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.97 -29.74 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.52 -37.5 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 420' ' ' LEU . 0.3 OUTLIER -76.73 -27.21 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.81 -21.16 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 57.6 m -71.83 -18.45 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.92 HG21 HD11 ' A' ' 383' ' ' ILE . 14.7 p -56.01 140.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 111.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -108.91 121.23 44.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 428' ' ' THR . 3.8 t -123.74 102.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.33 28.85 11.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.415 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 117.13 35.03 1.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -104.28 122.86 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.84 -36.79 72.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -56.24 -69.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.42 -23.77 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.266 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -64.04 -40.73 96.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -62.04 -39.83 93.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.914 ' O ' HG23 ' A' ' 442' ' ' VAL . 8.2 tpt180 -65.17 -56.07 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.538 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.0 -50.24 69.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.78 -36.25 83.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -67.05 -50.89 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.882 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 438' ' ' ARG . 6.4 t -59.72 -40.17 81.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 51.6 t -64.53 -45.08 88.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -60.53 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 420' ' ' LEU . 2.0 pp -49.84 -47.71 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.351 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.614 ' N ' HD12 ' A' ' 445' ' ' ILE . 30.3 tp60 -68.56 -30.87 69.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.09 0.471 . . . . 0.0 109.825 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.03 -46.58 67.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.709 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.903 HG23 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -66.81 -39.19 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.837 ' CD1' HD23 ' A' ' 416' ' ' LEU . 2.4 tp -64.23 -51.52 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.699 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -42.11 97.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -45.1 94.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.744 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -63.13 -44.3 95.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.71 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -30.53 60.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.47 25.03 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.648 0.261 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 383' ' ' ILE . 6.8 tp -47.07 -27.72 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.743 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -46.85 -53.06 12.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.688 ' HD3' HG23 ' A' ' 426' ' ' VAL . 0.6 OUTLIER -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.939 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 426' ' ' VAL . 17.7 mt -66.87 -40.5 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.951 0.405 . . . . 0.0 110.582 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 381' ' ' LYS . 17.3 mt -66.82 -42.83 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.237 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.408 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.4 m -59.54 -38.13 73.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.0 -51.78 67.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.238 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.9 -44.67 91.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.206 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.553 ' HE2' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.44 -42.13 81.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.079 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 386' ' ' VAL . 38.6 t -63.87 -39.22 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.221 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -53.36 59.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -56.51 -48.83 76.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.165 0.507 . . . . 0.0 110.116 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.796 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -59.88 -41.59 91.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.974 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 397' ' ' VAL . 4.8 tt0 -57.74 -40.49 79.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.66 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.53 -55.65 16.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.584 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 396' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 393' ' ' LEU . 10.5 pt-20 -62.06 -50.79 70.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.82 HG12 HD13 ' A' ' 412' ' ' LEU . 18.5 m -58.49 -37.25 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.91 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.29 -9.06 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.094 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 412' ' ' LEU . 9.9 t80 -46.46 158.75 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 111.302 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.2 p -73.92 -50.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.53 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 125.36 33.13 0.74 Allowed Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.863 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.816 ' HG2' HG22 ' A' ' 405' ' ' THR . 1.0 OUTLIER -118.05 133.61 55.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.77 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 409' ' ' TYR . 7.4 ptmt -94.57 -21.85 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.499 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 405' ' ' THR . . . . . 0.816 HG22 ' HG2' ' A' ' 403' ' ' LYS . 9.2 t -72.94 -29.48 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.61 142.58 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.11 70.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 411' ' ' LEU . . . -51.97 -56.54 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.988 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.814 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.6 t80 -60.39 -31.43 70.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.108 0.48 . . . . 0.0 109.893 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -52.71 63.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.055 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 408' ' ' ALA . 0.3 OUTLIER -65.71 -37.78 87.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.82 HD13 HG12 ' A' ' 397' ' ' VAL . 19.2 mt -51.44 -68.66 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.02 0.438 . . . . 0.0 110.202 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.5 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.43 -63.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -36.5 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.044 HD21 HD13 ' A' ' 448' ' ' ILE . 20.6 mt -57.54 -57.94 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.776 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.9 m -57.43 -40.73 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.09 -53.54 56.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.452 ' HG3' HG12 ' A' ' 386' ' ' VAL . 0.3 OUTLIER -60.18 -39.84 87.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 445' ' ' ILE . 8.0 tt -57.93 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.07 -49.76 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -29.98 68.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 383' ' ' ILE . 2.0 tm? -71.6 -52.85 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -22.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.733 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.4 m -86.94 38.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.608 0.242 . . . . 0.0 111.364 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 383' ' ' ILE . 9.2 p -96.81 148.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.756 0.312 . . . . 0.0 110.978 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -102.9 122.63 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.424 ' HB ' HG11 ' A' ' 434' ' ' VAL . 4.6 t -131.82 -48.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.57 27.57 61.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 100.83 50.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -113.51 130.57 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.68 -39.23 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -54.58 -67.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.753 HG13 HD11 ' A' ' 383' ' ' ILE . 52.4 t -61.94 -25.25 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -58.58 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.519 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.21 -43.26 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -60.83 -39.02 87.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -69.19 -58.86 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -52.61 -49.79 64.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.69 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -62.81 -43.09 99.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -48.41 77.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.984 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 438' ' ' ARG . 22.4 t -57.82 -46.4 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.33 -45.66 92.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.345 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.95 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.992 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.792 HD12 HD12 ' A' ' 420' ' ' LEU . 27.5 pt -48.38 -44.71 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.458 ' N ' HG13 ' A' ' 445' ' ' ILE . 0.9 OUTLIER -69.79 -34.68 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.01 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.351 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 1.044 HD13 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -62.14 -41.47 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -51.11 71.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.64 -42.98 94.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -57.56 -44.25 85.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.699 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.814 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.2 mt -64.05 -46.35 84.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.81 -36.66 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -76.65 -32.28 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -32.16 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.693 ' OG ' HG21 ' A' ' 434' ' ' VAL . 35.0 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.9 tp -55.59 -39.61 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -52.77 -46.45 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -38.4 90.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.695 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.911 HD12 HG22 ' A' ' 434' ' ' VAL . 52.7 mt -67.28 -46.55 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 385' ' ' HIS . 32.9 pt -63.37 -39.39 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.384 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 385' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 384' ' ' ILE . 5.3 m170 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.283 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.929 HG21 HD13 ' A' ' 423' ' ' LEU . 31.3 m -58.72 -33.53 49.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.3 -52.63 64.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.027 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -57.89 -43.61 86.19 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.92 -40.92 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 386' ' ' VAL . 49.5 t -65.78 -37.73 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.24 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -58.98 -53.44 58.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.993 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.41 -45.91 84.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.849 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' ' 389' ' ' LYS . 0.3 OUTLIER -62.45 -34.6 77.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 397' ' ' VAL . 15.8 tt0 -60.56 -47.21 87.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.25 -40.32 97.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.754 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -54.89 40.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.728 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.2 m -58.72 -35.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.435 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -62.66 -40.25 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.935 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.57 -12.76 50.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.993 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.7 t80 -46.4 129.05 10.52 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.844 0.354 . . . . 0.0 110.977 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.6 p -46.07 -47.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.584 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.502 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.62 22.68 3.29 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.875 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 125.01 11.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.792 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.84 64.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.5 m -131.92 -31.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.311 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.68 161.42 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.7 OUTLIER -59.63 -20.5 56.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.97 -57.83 9.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.721 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.2 t80 -58.18 -36.45 73.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.0 m0 -56.97 -64.69 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.176 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.335 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.728 HD22 ' CG1' ' A' ' 397' ' ' VAL . 12.6 mt -56.47 -68.91 0.17 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.31 -54.72 43.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.476 ' CG ' HD11 ' A' ' 393' ' ' LEU . 22.3 tpp -58.92 -40.63 85.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.931 ' HG ' HD13 ' A' ' 449' ' ' LEU . 0.0 OUTLIER -58.8 -46.91 86.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 6.5 m -60.59 -51.01 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -55.24 -46.07 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.713 ' OE1' HG22 ' A' ' 390' ' ' VAL . 1.4 tt0 -60.25 -43.01 96.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 420' ' ' LEU . 7.8 tt -59.85 -44.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -45.88 91.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.69 -44.6 93.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.929 HD13 HG21 ' A' ' 386' ' ' VAL . 17.7 tp -62.95 -44.09 97.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.04 -20.24 37.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.409 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 60.2 p -94.38 38.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.262 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.5 p -103.73 140.08 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.98 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -98.3 73.84 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.455 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.5 t -53.11 -45.68 68.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 59.32 27.32 62.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.562 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.77 64.19 2.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.81 128.94 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -58.7 -48.45 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.7 m -56.04 -55.47 32.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.911 HG22 HD12 ' A' ' 383' ' ' ILE . 2.2 t -65.76 -29.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -55.36 35.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.253 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.97 -40.33 91.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.242 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.868 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -64.49 -32.39 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.626 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -54.61 10.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.565 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 442' ' ' VAL . 14.3 mttt -58.4 -47.71 83.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -63.75 -39.39 94.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -61.48 -54.51 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.85 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 445' ' ' ILE . 12.9 p -60.23 -36.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 22.3 t -64.12 -39.03 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.971 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.564 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -64.46 -55.19 22.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.796 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.599 HG22 ' OE1' ' A' ' 419' ' ' GLU . 17.7 pt -53.75 -44.96 60.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 121.002 0.43 . . . . 0.0 110.58 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 445' ' ' ILE . 1.8 mm100 -71.41 -30.85 66.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.76 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.27 -49.32 57.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.757 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.745 HG21 HD21 ' A' ' 416' ' ' LEU . 17.8 tt -64.59 -46.72 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.009 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.931 HD13 ' HG ' ' A' ' 416' ' ' LEU . 4.0 tp -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.01 -49.98 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.309 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -38.79 82.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.396 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 409' ' ' TYR . 2.8 mt -59.49 -52.3 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -43.62 91.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.29 -34.98 77.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -101.31 25.15 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.436 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.646 0.26 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 384' ' ' ILE . 2.0 tt -44.71 -27.76 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.1 tmtm? -44.97 -56.4 4.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -62.6 -34.74 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.618 HG21 ' CB ' ' A' ' 437' ' ' ALA . 28.7 mm -65.82 -40.45 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.0 mt -66.73 -43.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.291 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.86 -52.12 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.349 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 390' ' ' VAL . 26.9 m -61.54 -37.72 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.38 -55.81 28.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -42.55 90.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.405 ' CE ' ' CD1' ' A' ' 393' ' ' LEU . 1.2 tmtp? -58.5 -43.05 88.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 386' ' ' VAL . 48.7 t -64.45 -39.87 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.16 -53.09 62.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -57.19 -54.22 49.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.0 OUTLIER -56.17 -39.77 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.36 -47.41 78.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -46.81 87.45 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.772 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -36.65 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.866 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 393' ' ' LEU . 57.8 t -61.81 -48.37 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.168 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.52 -37.1 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.22 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -83.75 -13.36 54.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.201 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.6 t80 -44.57 130.3 6.8 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.878 0.371 . . . . 0.0 111.158 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.48 HG13 ' H ' ' A' ' 403' ' ' LYS . 6.0 p -45.51 -47.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.371 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.14 19.51 4.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.48 ' H ' HG13 ' A' ' 401' ' ' VAL . 3.5 ttmm -148.14 131.28 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 61.79 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.9 t -127.19 -31.21 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.58 161.54 19.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.474 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.3 mptp? -61.15 -20.81 63.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.4 -66.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.706 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.3 t80 -50.17 -40.67 47.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.8 m0 -53.82 -65.32 0.59 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.33 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.425 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 452' ' ' LEU . 11.8 mt -51.58 -71.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.34 -36.18 82.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -58.96 -65.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.701 ' HE2' HD11 ' A' ' 393' ' ' LEU . 27.3 mtp -58.56 -42.4 87.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.985 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 448' ' ' ILE . 18.2 tp -59.59 -52.29 66.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -57.59 -45.48 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.818 ' OE1' HG12 ' A' ' 386' ' ' VAL . 3.9 mm-40 -56.5 -37.47 70.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -61.74 -49.1 77.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.661 179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.96 -50.63 73.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.42 -30.01 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 386' ' ' VAL . 13.5 tp -64.08 -50.82 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.16 -22.03 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.643 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 24.0 p -89.9 38.15 0.91 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.504 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.608 HG21 HD11 ' A' ' 383' ' ' ILE . 7.9 p -86.77 155.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.979 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.7 OUTLIER -103.05 113.75 27.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 429' ' ' GLY . 3.4 t -126.68 -49.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 428' ' ' THR . . . 56.29 28.07 54.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.505 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 99.88 28.37 7.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 126.2 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.94 -37.55 74.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -69.08 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.4 -25.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -62.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.459 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.06 -43.07 96.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.545 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.618 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.65 -34.45 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 442' ' ' VAL . 22.2 ttt-85 -69.9 -56.66 6.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -52.96 -48.35 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.01 0.433 . . . . 0.0 110.377 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.08 -46.87 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 438' ' ' ARG . 38.6 t -58.63 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.1 m -62.84 -50.09 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -60.28 -62.06 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.045 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 420' ' ' LEU . 2.6 pp -48.23 -47.1 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.732 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.9 tt0 -68.29 -30.79 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 0.0 109.817 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.32 -51.33 45.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.5 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 416' ' ' LEU . 9.6 tt -62.84 -39.81 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.569 ' CD1' HD23 ' A' ' 416' ' ' LEU . 4.3 tp -63.51 -47.45 81.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -40.31 93.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -61.47 -48.35 81.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 412' ' ' LEU . 15.2 mt -61.26 -42.93 99.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.45 -38.3 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.85 -44.38 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -73.46 -34.59 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.9 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.481 0.181 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 383' ' ' ILE . 1.0 OUTLIER -37.8 -33.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 384' ' ' ILE . 23.5 tttp -46.62 -36.94 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -67.8 -54.08 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.043 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.941 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -58.64 -30.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 381' ' ' LYS . 26.3 mt -70.0 -53.29 24.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.321 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.52 -52.53 59.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.344 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 390' ' ' VAL . 35.4 m -61.7 -37.48 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.403 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 383' ' ' ILE . 0.7 OUTLIER -54.21 -51.37 64.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.298 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.99 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -48.08 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 386' ' ' VAL . 46.3 t -60.74 -41.62 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.343 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -54.27 -53.63 51.07 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.084 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.07 -44.27 82.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.786 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.3 OUTLIER -59.16 -43.29 92.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.6 ' CG ' HD12 ' A' ' 448' ' ' ILE . 24.7 mt-10 -56.7 -48.24 78.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.017 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.28 -45.49 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.051 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.96 -45.8 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 393' ' ' LEU . 28.2 t -54.27 -46.14 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.43 -40.87 98.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.368 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -80.3 -8.85 59.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.253 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 61.4 t80 -43.36 138.84 2.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 111.284 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -50.38 -47.22 26.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.556 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 137.4 -43.46 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.678 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.407 ' HB3' HG22 ' A' ' 405' ' ' THR . 0.8 OUTLIER -104.2 143.22 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.754 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 59.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 403' ' ' LYS . 10.9 t -134.51 -0.07 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -104.19 161.2 14.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.12 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.86 ' CE1' HD11 ' A' ' 452' ' ' LEU . 13.9 t80 -45.92 -39.01 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 29.5 m0 -60.47 -64.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.073 0.463 . . . . 0.0 110.067 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.8 pp -60.0 -25.38 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.545 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 411' ' ' LEU . 12.3 mt -62.96 -55.16 28.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.74 -50.12 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.548 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 411' ' ' LEU . 11.9 pt-20 -54.89 -47.7 73.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 393' ' ' LEU . 5.0 tpp -65.25 -44.36 88.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.704 ' HG ' HD22 ' A' ' 393' ' ' LEU . 33.9 mt -60.09 -49.22 78.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 p -58.98 -44.19 91.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.609 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -58.57 -46.34 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -50.56 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.78 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.66 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.93 -28.91 58.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' A' ' 441' ' ' ALA . 9.4 tp -65.39 -39.49 92.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.1 -7.99 52.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.504 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 38.09 1.09 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.669 0.271 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.5 p -113.09 155.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 426' ' ' VAL . 14.5 pt-20 -104.85 128.43 53.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 428' ' ' THR . 6.6 t -145.49 89.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -118.63 65.64 0.39 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 108.22 -26.44 16.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -59.14 108.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.17 -31.62 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 2.8 m -60.84 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.29 -28.61 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -60.69 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.359 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -58.11 -42.12 85.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.941 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.71 -38.0 89.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.67 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.4 tpt180 -60.86 -53.62 55.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -59.73 -47.16 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.54 -41.08 89.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.53 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 423' ' ' LEU . . . -62.22 -45.16 94.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.775 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 438' ' ' ARG . 33.5 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 5.5 t -62.35 -45.7 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -62.78 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.1 pp -48.37 -47.16 14.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.641 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -69.61 -32.13 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 179.056 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.24 -51.0 58.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.654 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 394' ' ' GLU . 15.7 tt -64.49 -39.36 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.777 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 445' ' ' ILE . 2.1 mp -61.42 -49.87 75.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.4 -40.21 95.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.627 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.86 HD11 ' CE1' ' A' ' 409' ' ' TYR . 2.7 tm? -64.99 -40.64 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.53 -41.8 95.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -33.94 62.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.48 25.1 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.478 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.591 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.535 0.207 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.597 HG12 HD11 ' A' ' 384' ' ' ILE . 0.6 OUTLIER -38.09 -32.32 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -60.12 -48.57 81.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.42 . . . . 0.0 110.621 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -54.4 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.962 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.9 tp -56.56 -37.13 50.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.597 HD11 HG12 ' A' ' 380' ' ' ILE . 50.5 mt -64.6 -48.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.996 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -54.25 44.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.03 0.443 . . . . 0.0 110.409 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.81 HG23 ' HB2' ' A' ' 419' ' ' GLU . 7.2 p -59.73 -33.72 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.208 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 387' ' ' LEU . 0.3 OUTLIER -58.51 -51.09 71.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.04 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.438 ' HG2' ' CE2' ' A' ' 392' ' ' TYR . 0.8 OUTLIER -60.0 -45.85 91.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.867 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -44.29 78.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 386' ' ' VAL . 82.1 t -65.21 -33.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.059 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -53.73 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.835 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 392' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 388' ' ' GLU . 21.3 m-85 -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.678 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.772 HD11 ' CG ' ' A' ' 415' ' ' MET . 0.3 OUTLIER -61.05 -37.78 83.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.938 179.005 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 397' ' ' VAL . 2.4 mm-40 -60.58 -45.11 95.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.938 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -42.74 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.972 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.78 -59.22 5.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.502 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.4 p -52.4 -37.94 24.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 110.678 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -89.2 -1.94 58.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 67.4 t80 -43.34 135.11 3.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.799 0.333 . . . . 0.0 111.386 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.5 p -52.2 -44.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.503 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 134.16 -31.76 2.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.873 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -109.63 140.47 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 57.65 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.5 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.2 161.5 25.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -21.9 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.29 -62.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 452' ' ' LEU . 20.4 t80 -58.21 -30.76 66.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -65.12 0.7 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.303 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -26.38 68.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.378 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 452' ' ' LEU . 11.4 mt -57.41 -61.46 2.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.333 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.75 -44.89 88.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.33 -55.94 28.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.772 ' CG ' HD11 ' A' ' 393' ' ' LEU . 30.0 tpp -59.17 -38.92 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.814 HD21 HD13 ' A' ' 448' ' ' ILE . 16.8 mt -63.15 -44.88 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -44.62 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -59.55 -55.94 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 386' ' ' VAL . 24.0 pt-20 -56.52 -39.49 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.53 -52.66 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.31 -40.23 81.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.727 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.77 -43.15 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 423' ' ' LEU . 1.6 tt -65.97 -38.96 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.87 -24.59 9.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.279 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.4 m -95.59 38.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.222 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.591 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.9 p -84.15 136.25 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -108.3 72.34 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 429' ' ' GLY . 8.3 t -68.19 -47.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.36 40.18 93.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.35 64.28 3.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.547 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -126.0 136.29 52.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.58 -44.57 90.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p -59.04 -56.77 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.423 HG11 ' HB ' ' A' ' 428' ' ' THR . 40.4 t -61.96 -31.94 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -61.2 -52.33 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.511 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.15 -50.34 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.28 -40.3 93.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.869 ' O ' HG23 ' A' ' 442' ' ' VAL . 64.5 ttt180 -60.53 -62.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.761 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -43.5 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.19 -53.35 58.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.962 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.27 -46.51 88.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.1 t -58.05 -39.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.9 OUTLIER -65.31 -45.4 84.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.366 179.444 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -62.64 -59.34 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.031 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.616 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -51.11 -48.5 30.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.822 0.344 . . . . 0.0 110.725 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.616 ' N ' HD12 ' A' ' 445' ' ' ILE . 6.1 tt0 -67.62 -31.54 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.02 -49.65 64.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.615 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.814 HD13 HD21 ' A' ' 416' ' ' LEU . 14.1 tt -64.42 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.555 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.568 HD12 HD13 ' A' ' 416' ' ' LEU . 1.0 OUTLIER -60.67 -55.34 34.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.36 -36.75 78.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -59.69 -46.2 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.793 HD11 HD13 ' A' ' 412' ' ' LEU . 8.4 mt -65.32 -45.77 82.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -60.56 -32.61 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.99 -48.3 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -67.01 -34.97 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.28 -1.289 . . . . 0.0 112.551 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.636 0.255 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 383' ' ' ILE . 0.7 OUTLIER -41.44 -31.5 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.815 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 384' ' ' ILE . 13.2 mtmt -45.74 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.957 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.1 OUTLIER -69.27 -54.54 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.021 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.894 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -60.98 -28.52 43.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 381' ' ' LYS . 21.1 mt -71.62 -55.38 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -55.85 -42.05 75.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.338 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 382' ' ' LYS . 32.2 t -66.39 -43.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.602 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' A' ' 440' ' ' GLU . 13.6 mt -54.42 -50.61 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 388' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 392' ' ' TYR . 0.1 OUTLIER -61.94 -51.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 179.61 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.51 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -57.11 -53.73 54.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.8 t -58.05 -33.21 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.42 -58.19 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.037 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 388' ' ' GLU . 7.7 m-85 -59.19 -47.94 83.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.881 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 415' ' ' MET . 0.2 OUTLIER -58.66 -35.92 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.242 179.353 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 397' ' ' VAL . 11.4 mt-10 -61.79 -53.32 57.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.02 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.22 -40.41 74.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.397 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 412' ' ' LEU . 33.8 m -52.06 -32.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.885 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.46 -34.66 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.66 2.48 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.494 ' CE1' HG12 ' A' ' 401' ' ' VAL . 59.4 t80 -45.19 147.16 0.77 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.494 HG12 ' CE1' ' A' ' 400' ' ' PHE . 3.1 p -47.36 -53.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.719 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 139.27 -33.26 2.18 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.772 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.73 129.62 55.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -68.82 62.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.7 t -135.79 -1.52 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -104.2 161.46 14.01 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.755 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.458 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.5 mptm? -60.1 -27.12 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.33 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.423 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.846 ' CE1' HD11 ' A' ' 452' ' ' LEU . 0.2 OUTLIER -47.65 -42.58 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 36.5 m0 -53.83 -64.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 0.0 110.407 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.719 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 397' ' ' VAL . 11.7 mt -58.25 -69.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.8 -43.29 98.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.93 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -53.75 -61.28 2.4 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 393' ' ' LEU . 14.9 tpp -57.91 -34.42 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.457 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.809 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -58.22 -56.64 19.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.531 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.6 p -58.25 -45.16 88.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -58.22 -45.5 87.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.719 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.9 -48.75 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.71 -44.01 90.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.21 -28.83 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 386' ' ' VAL . 12.3 tp -72.37 -41.32 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.04 -14.32 60.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.436 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.3 m -71.83 -17.15 62.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.487 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.49 HG21 HG13 ' A' ' 434' ' ' VAL . 14.4 p -54.56 155.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.798 0.332 . . . . 0.0 111.216 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 428' ' ' THR . 0.0 OUTLIER -67.1 -69.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.524 ' HB ' HG12 ' A' ' 434' ' ' VAL . 9.9 t 44.95 42.27 6.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.363 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.61 28.51 13.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 139.74 43.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.76 119.87 14.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.12 -39.0 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 t -61.71 -59.91 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' A' ' 428' ' ' THR . 22.0 t -57.53 -38.61 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.68 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.46 -48.55 78.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.323 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.894 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.09 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 442' ' ' VAL . 16.3 tpt180 -60.19 -55.16 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.436 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -60.23 -46.46 89.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.226 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' GLU . . . . . 0.78 ' OE2' HD21 ' A' ' 387' ' ' LEU . 7.6 tt0 -59.68 -41.52 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 423' ' ' LEU . . . -62.89 -42.27 99.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.667 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.2 t -63.43 -40.77 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -64.09 -44.98 90.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.386 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -62.89 -60.65 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -49.69 -48.49 20.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.606 ' N ' HD12 ' A' ' 445' ' ' ILE . 2.3 tp-100 -67.4 -34.27 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.117 0.484 . . . . 0.0 109.741 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -64.55 -51.91 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.406 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.809 HD13 HD21 ' A' ' 416' ' ' LEU . 11.8 tt -62.86 -36.23 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.802 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.4 OUTLIER -62.97 -45.91 90.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.434 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 453' ' ' GLU . 36.6 tt0 -65.62 -39.73 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -69.55 -35.92 75.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.846 HD11 ' CE1' ' A' ' 409' ' ' TYR . 0.9 OUTLIER -72.02 -42.15 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 450' ' ' GLU . 12.7 pt-20 -68.54 -43.88 75.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.38 73.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.754 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.37 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.538 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.648 0.261 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.556 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.5 OUTLIER -75.13 -32.61 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -37.48 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.892 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -66.71 -59.17 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.997 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.597 ' HB ' ' HB1' ' A' ' 437' ' ' ALA . 1.8 pp -56.29 -41.5 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.193 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.556 HD11 ' CG1' ' A' ' 380' ' ' ILE . 76.6 mt -61.26 -51.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.306 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -56.11 -38.65 71.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.286 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.95 HG21 HD13 ' A' ' 423' ' ' LEU . 21.4 t -64.97 -42.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.94 -49.97 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -44.32 93.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.638 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -56.23 -46.28 79.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.412 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.779 HG11 ' CG ' ' A' ' 444' ' ' LYS . 56.0 t -63.95 -38.22 81.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.358 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -55.98 -58.67 6.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.948 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.42 -42.88 92.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.914 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 416' ' ' LEU . 0.4 OUTLIER -55.93 -62.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.198 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 448' ' ' ILE . 1.6 tm-20 -46.08 -44.7 15.73 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.469 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -46.19 77.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.955 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 396' ' ' GLU . . . . . 0.615 ' HB2' HD21 ' A' ' 412' ' ' LEU . 2.1 mt-10 -61.48 -37.01 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.636 HG13 ' HG ' ' A' ' 452' ' ' LEU . 61.5 t -59.73 -47.53 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.254 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.13 -42.26 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.318 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.15 -11.9 59.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.212 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 400' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -46.26 123.53 4.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.9 0.381 . . . . 0.0 111.252 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.1 p -45.49 -42.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.426 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.63 18.61 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.727 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.489 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.5 OUTLIER -148.14 147.98 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.443 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.1 tttm -84.94 54.12 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.0 m -127.17 -31.19 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.96 174.95 11.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.49 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -77.43 -16.47 58.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -50.44 -66.12 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.383 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 412' ' ' LEU . 0.7 OUTLIER -49.52 -41.24 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.302 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.49 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.9 m0 -54.46 -65.12 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 110.411 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 452' ' ' LEU . 18.4 mt -53.61 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 417' ' ' THR . 10.1 mt-10 -60.84 -44.68 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.16 -44.23 83.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.425 ' HB2' HD21 ' A' ' 393' ' ' LEU . 15.1 mtt -64.88 -55.63 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 448' ' ' ILE . 0.6 OUTLIER -59.15 -41.76 89.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.095 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 413' ' ' GLU . 23.2 p -59.85 -51.66 68.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.375 . . . . 0.0 110.579 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -55.75 -45.71 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 386' ' ' VAL . 5.7 tp10 -60.43 -38.53 84.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 1.101 HD11 HD13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -61.63 -51.63 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.24 -46.08 83.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.789 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.93 -27.59 62.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 386' ' ' VAL . 57.3 tp -65.31 -52.55 53.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.42 -21.75 27.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.38 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -20.22 61.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.448 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.2 p -56.6 131.79 20.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -107.35 82.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.1 t -64.99 -50.06 67.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 428' ' ' THR . . . 93.14 -26.96 12.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 140.2 44.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.406 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.55 137.8 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.794 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.57 -43.74 84.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 64.4 p -62.55 -55.73 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.75 -39.52 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -50.79 72.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.57 -44.8 89.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.459 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 383' ' ' ILE . . . -61.07 -35.76 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.0 tpt180 -65.05 -54.84 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.527 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -59.24 -50.03 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.9 -36.09 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.95 86.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.8 t -61.62 -43.02 96.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.5 OUTLIER -64.71 -42.35 95.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.433 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.779 ' CG ' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -63.78 -60.52 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.024 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 1.101 HD13 HD11 ' A' ' 420' ' ' LEU . 2.5 pp -51.6 -45.32 35.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.698 ' N ' HD12 ' A' ' 445' ' ' ILE . 3.5 tp60 -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.748 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.28 -51.54 36.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.254 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.823 HD12 ' N ' ' A' ' 449' ' ' LEU . 2.8 pp -66.12 -44.87 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.562 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 448' ' ' ILE . 4.2 pp -66.77 -39.32 87.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.554 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.791 ' N ' HD12 ' A' ' 449' ' ' LEU . 0.6 OUTLIER -61.86 -48.51 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 109.952 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -37.67 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.158 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 412' ' ' LEU . 3.6 mt -59.15 -53.19 61.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -38.15 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -63.79 -37.26 86.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -85.63 -35.01 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.46 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.674 ' OG ' HG22 ' A' ' 426' ' ' VAL . 34.4 t . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.74 0.305 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.77 ' O ' HG23 ' A' ' 384' ' ' ILE . 7.5 tt -71.16 -25.8 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.414 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -64.75 -37.48 87.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -50.62 38.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.9 HD13 ' CB ' ' A' ' 437' ' ' ALA . 1.1 pt -63.11 -36.64 76.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 380' ' ' ILE . 26.5 pt -71.69 -41.44 70.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.863 0.363 . . . . 0.0 110.246 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 385' ' ' HIS . . . . . 0.442 ' N ' HG13 ' A' ' 384' ' ' ILE . 2.2 m-70 -58.1 -47.94 81.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.847 HG23 ' HG2' ' A' ' 419' ' ' GLU . 7.1 p -65.94 -38.33 81.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.343 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 387' ' ' LEU . 13.7 mt -52.96 -57.19 11.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.951 0.405 . . . . 0.0 110.212 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.01 -42.71 98.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.038 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -45.7 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.24 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 386' ' ' VAL . 69.3 t -62.15 -40.75 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.232 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.32 -53.63 53.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 109.979 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.81 -44.69 86.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.797 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.5 OUTLIER -60.97 -35.81 77.75 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.837 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.5 tp10 -60.85 -47.21 87.42 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.779 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.41 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.98 178.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.464 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.3 p -51.19 -36.72 16.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.572 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.84 -44.37 96.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -87.98 -1.15 57.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 56.3 t80 -42.05 139.34 1.36 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.415 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.7 p -48.3 -47.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.445 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.03 -43.93 1.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.592 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.84 159.21 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 37.6 tttt -79.25 59.61 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.0 t -123.86 -31.18 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -83.85 156.33 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.005 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.1 OUTLIER -62.4 -19.38 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -48.04 -66.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.847 0.355 . . . . 0.0 111.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 452' ' ' LEU . 8.3 t80 -47.54 -37.84 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.374 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 47.7 m0 -58.43 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 110.486 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 0.9 OUTLIER -65.44 -26.39 67.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.926 HD13 HD21 ' A' ' 452' ' ' LEU . 11.6 mt -59.9 -67.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.255 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.8 tt0 -60.66 -41.77 95.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.852 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.31 -54.71 43.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.697 ' HG2' HD11 ' A' ' 393' ' ' LEU . 3.3 ttm -58.64 -40.28 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 449' ' ' LEU . 12.3 mt -59.54 -51.92 67.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.756 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 41.7 p -56.82 -48.23 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -56.44 -42.1 77.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.847 ' HG2' HG23 ' A' ' 386' ' ' VAL . 2.9 mt-10 -59.63 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.527 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.65 -48.37 69.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.14 -37.26 79.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.59 -41.96 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.714 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.866 ' O ' HG12 ' A' ' 426' ' ' VAL . 4.3 mm? -67.64 -38.67 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.068 0.461 . . . . 0.0 110.329 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 -19.33 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.349 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.5 m -94.39 -21.34 19.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.699 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 423' ' ' LEU . 9.8 p -53.02 144.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.774 0.321 . . . . 0.0 111.357 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.73 82.82 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.14 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -100.27 30.61 3.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.824 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -83.85 79.86 1.88 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.6 66.05 1.01 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 105.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.03 -33.94 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.598 HG11 ' OG ' ' A' ' 379' ' ' SER . 16.5 t -59.41 -34.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -52.37 65.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.395 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.9 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -61.2 -34.11 74.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.583 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -61.36 -55.06 35.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.289 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -45.05 86.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.209 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.95 -45.52 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.19 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.14 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.7 t -61.32 -39.61 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 57.3 m -65.39 -44.69 86.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.242 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.559 ' HB3' HG11 ' A' ' 390' ' ' VAL . 11.9 mttp -63.9 -59.81 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.815 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -51.07 -46.29 30.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.724 ' N ' HD12 ' A' ' 445' ' ' ILE . 61.2 tt0 -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.701 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.25 -54.06 24.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.415 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 416' ' ' LEU . 13.9 tt -60.37 -40.84 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 416' ' ' LEU . 0.9 OUTLIER -60.35 -49.63 76.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.501 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.64 -46.15 84.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.94 -37.96 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.926 HD21 HD13 ' A' ' 412' ' ' LEU . 8.6 mt -62.9 -51.83 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.2 79.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.65 47.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.38 -34.92 75.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.881 ' HB2' HG11 ' A' ' 434' ' ' VAL . 33.7 p . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.605 ' HB ' HG22 ' A' ' 434' ' ' VAL . 1.5 tp -69.12 -45.4 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.256 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.479 ' N ' HG23 ' A' ' 380' ' ' ILE . 68.7 tttt -42.57 -53.77 4.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.687 ' O ' HG22 ' A' ' 386' ' ' VAL . 2.3 mtpt -63.31 -31.39 72.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.847 HD11 ' CA ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -71.24 -36.0 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.92 -45.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.358 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -52.55 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.591 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 1.061 HG21 HD12 ' A' ' 423' ' ' LEU . 27.5 m -59.62 -43.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 387' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 383' ' ' ILE . 0.8 OUTLIER -57.16 -49.89 74.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.886 0.374 . . . . 0.0 110.58 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -45.4 87.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.3 -42.37 77.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.3 t -65.66 -38.7 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.02 -56.32 23.56 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.291 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -56.12 -51.05 69.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.066 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 1.06 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -56.34 -41.73 76.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.084 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.76 -45.42 78.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.729 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.84 -46.25 88.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.7 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.9 -38.7 76.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.002 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.785 HG21 HG13 ' A' ' 448' ' ' ILE . 43.3 t -63.35 -43.68 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.371 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.67 -42.52 97.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.95 -14.16 54.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.164 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.2 t80 -48.44 122.86 5.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 110.666 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.9 p -42.13 -46.09 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.689 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.39 22.87 3.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.712 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.403 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.0 OUTLIER -148.16 142.31 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.019 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -82.16 56.34 3.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 3.6 t -121.6 -31.1 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.22 162.52 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.46 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -66.84 -17.48 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.303 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.03 -54.11 40.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.714 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.5 t80 -58.43 -37.58 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.46 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -58.77 -64.03 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.089 0.471 . . . . 0.0 110.103 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -58.79 -30.81 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.344 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 452' ' ' LEU . 14.2 mt -58.85 -65.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.806 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -61.78 -55.09 33.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.974 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 411' ' ' LEU . 2.8 pp20? -51.81 -43.92 63.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.616 0.246 . . . . 0.0 111.527 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.687 ' CG ' HD11 ' A' ' 393' ' ' LEU . 40.3 ttm -65.16 -45.11 86.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.06 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -60.96 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.0 p -59.74 -49.63 76.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -57.5 -46.1 84.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.63 81.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.848 ' HG ' HG21 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -59.13 -45.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.719 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.29 -45.3 88.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.44 -31.12 63.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 386' ' ' VAL . 5.5 tt -66.43 -39.07 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -58.74 -19.96 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.302 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 6.1 t -71.93 -20.54 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.392 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.9 p -56.93 139.34 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.808 0.337 . . . . 0.0 111.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.0 -74.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.647 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.859 HG23 HG12 ' A' ' 434' ' ' VAL . 0.7 OUTLIER 56.06 80.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -145.05 85.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 111.86 -40.3 2.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.2 113.55 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.85 -40.89 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 m -59.62 -55.0 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 379' ' ' SER . 38.2 t -59.97 -39.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.0 -48.29 80.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.45 -44.73 95.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.356 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.62 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -62.62 -47.17 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 442' ' ' VAL . 2.2 ttt180 -55.63 -56.97 14.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -48.08 69.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -48.05 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.562 ' HB2' ' HG ' ' A' ' 387' ' ' LEU . . . -60.91 -52.3 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.736 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 438' ' ' ARG . 40.3 t -53.53 -40.84 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 9.5 t -61.94 -52.47 63.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.248 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -58.65 -47.67 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.702 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.848 HG21 ' HG ' ' A' ' 420' ' ' LEU . 13.3 mt -55.43 -56.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 110.55 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.53 -32.57 73.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.858 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.58 -52.22 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.785 HG13 HG21 ' A' ' 397' ' ' VAL . 13.7 tt -63.89 -33.15 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -57.71 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 1.5 pt-20 -63.48 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -62.15 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -68.8 -42.18 77.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.93 82.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -31.9 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -99.42 25.12 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.494 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.723 ' CB ' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.65 0.262 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.3 tp -39.52 -32.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.952 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 384' ' ' ILE . 16.9 mmtt -48.29 -63.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -31.54 69.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.548 ' CG2' ' HB1' ' A' ' 437' ' ' ALA . 7.3 mm -65.61 -43.24 94.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 381' ' ' LYS . 5.8 mt -66.42 -41.74 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.59 -54.97 41.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 390' ' ' VAL . 33.4 m -59.71 -38.32 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.94 -53.26 58.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.09 -43.14 91.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.928 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -43.33 81.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.116 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.2 t -63.15 -41.71 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -55.25 -54.59 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.154 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.08 -42.63 81.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.86 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -61.75 -41.5 97.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.859 179.082 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.28 -49.8 73.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.08 -44.57 83.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.675 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.99 -36.97 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.925 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 393' ' ' LEU . 67.1 t -60.87 -48.54 88.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.205 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.74 -36.64 81.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.113 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -82.29 -13.07 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 68.8 t80 -41.93 137.98 1.64 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.6 p -48.48 -48.27 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.482 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.36 -41.47 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.803 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -106.52 151.06 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.019 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 11.1 tttt -78.92 58.45 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.6 t -123.1 -31.15 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.03 159.97 23.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -65.89 -15.6 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.356 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.19 -57.27 10.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.791 ' CE1' HD22 ' A' ' 452' ' ' LEU . 7.0 t80 -57.91 -36.51 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.4 m0 -57.08 -63.13 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.449 . . . . 0.0 110.137 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.62 -25.6 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.54 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 452' ' ' LEU . 10.0 mt -58.78 -67.29 0.38 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 417' ' ' THR . 0.7 OUTLIER -63.58 -42.24 98.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -56.55 17.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.494 ' HG2' HD11 ' A' ' 393' ' ' LEU . 13.7 ttm -60.6 -41.47 94.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.701 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -63.35 -43.78 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 413' ' ' GLU . 47.1 p -64.01 -40.19 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -58.52 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -57.28 -36.73 71.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 445' ' ' ILE . 1.8 mt -60.99 -53.74 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.72 -40.17 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.669 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.1 -32.55 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.719 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.88 ' O ' HG12 ' A' ' 426' ' ' VAL . 7.7 tp -72.92 -37.33 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.27 -13.66 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.485 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 8.2 m -71.9 -31.36 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.673 0.273 . . . . 0.0 111.155 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 423' ' ' LEU . 14.7 p -57.26 155.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -132.45 -64.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.629 ' OG1' HG21 ' A' ' 434' ' ' VAL . 86.2 m 64.76 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 123.62 -73.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -148.4 25.66 1.38 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.647 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 428' ' ' THR . 3.2 tp60 -81.05 127.82 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.47 -25.38 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 99.1 p -62.25 -69.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 438' ' ' ARG . 71.5 t -64.99 -26.66 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -60.82 -56.71 17.9 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -46.85 86.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.134 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.548 ' HB1' ' CG2' ' A' ' 383' ' ' ILE . . . -60.81 -32.32 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG12 ' A' ' 434' ' ' VAL . 0.9 OUTLIER -66.69 -62.34 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.498 179.581 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 1.6 mmtt -52.7 -38.48 60.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.458 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.38 -43.52 94.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.11 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -66.03 -56.01 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.716 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 17.1 m -50.36 -43.76 22.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.451 ' N ' HG23 ' A' ' 442' ' ' VAL . 1.7 m -64.71 -47.65 77.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 390' ' ' VAL . 13.4 tttp -62.91 -57.36 11.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.775 HD13 HD21 ' A' ' 420' ' ' LEU . 2.5 pp -52.05 -47.86 42.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.804 0.335 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.713 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -68.83 -32.97 73.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.19 -52.63 46.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.628 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.793 HG13 HG21 ' A' ' 397' ' ' VAL . 19.3 tt -63.43 -37.77 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.733 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 416' ' ' LEU . 1.7 mp -60.68 -55.43 33.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.625 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 22.9 pt-20 -60.91 -37.55 82.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -59.44 -47.29 86.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.71 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 412' ' ' LEU . 8.2 mt -67.89 -37.27 81.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.738 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -43.3 98.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.17 -35.26 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -34.76 64.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.651 ' OG ' HG11 ' A' ' 434' ' ' VAL . 3.3 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.989 0.424 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 380' ' ' ILE . 0.1 OUTLIER -76.66 -36.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.233 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 384' ' ' ILE . 11.1 ptmt -57.84 -35.42 70.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.694 ' O ' HG22 ' A' ' 386' ' ' VAL . 7.1 mtpp -70.09 -48.77 56.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.921 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.0 tp -67.82 -38.43 80.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.593 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 385' ' ' HIS . 20.2 tt -68.35 -45.17 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 0.0 110.571 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 385' ' ' HIS . . . . . 0.489 ' N ' HG23 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -60.11 -56.24 24.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.232 179.391 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 423' ' ' LEU . 27.8 m -59.05 -35.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.345 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.92 -48.64 80.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.96 -48.49 81.34 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.7 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.1 t -60.1 -37.11 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.374 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.31 -55.87 29.18 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.71 -42.9 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.703 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.2 OUTLIER -62.17 -36.9 83.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.977 178.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 448' ' ' ILE . 36.3 tt0 -60.68 -46.8 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.043 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.98 -42.12 98.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.114 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.12 -57.82 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.728 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.935 HG12 HD13 ' A' ' 412' ' ' LEU . 33.4 m -54.39 -36.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.38 -37.43 80.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.348 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.2 -5.68 57.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.303 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.756 ' HE1' ' HB3' ' A' ' 408' ' ' ALA . 73.7 t80 -47.18 145.23 2.33 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 402' ' ' GLY . 4.2 p -45.33 -51.75 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.733 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 121.0 23.59 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.79 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.412 ' H ' HG13 ' A' ' 401' ' ' VAL . 18.5 mtmt -148.1 142.23 26.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -84.77 55.85 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 6.6 t -122.7 -30.98 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.59 162.39 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.009 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.448 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -74.72 -19.37 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.756 ' HB3' ' HE1' ' A' ' 400' ' ' PHE . . . -52.36 -57.75 8.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.0 t80 -51.9 -39.1 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.6 m0 -58.0 -60.57 3.52 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.055 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -65.13 -25.55 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.622 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.935 HD13 HG12 ' A' ' 397' ' ' VAL . 11.6 mt -59.98 -67.6 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.068 0.461 . . . . 0.0 110.17 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.14 -44.58 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.47 -55.99 25.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.703 ' HG2' HD11 ' A' ' 393' ' ' LEU . 14.0 tpp -56.23 -45.9 79.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 390' ' ' VAL . 12.2 tp -60.28 -42.43 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 20.5 m -58.49 -49.35 77.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -58.45 -48.66 80.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.17 -39.88 76.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.736 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.684 HD11 HD13 ' A' ' 445' ' ' ILE . 1.3 tt -62.81 -52.72 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.39 -31.85 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.73 -54.86 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 386' ' ' VAL . 1.4 pp -64.9 -26.78 68.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -55.46 -22.48 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.1 m -94.88 38.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 111.292 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.576 HG23 ' HA ' ' A' ' 379' ' ' SER . 12.6 p -92.9 142.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.7 68.39 1.54 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 111.028 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.6 t -62.05 -49.72 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 428' ' ' THR . . . 69.67 -65.78 0.62 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.499 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 177.85 52.63 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.412 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -107.02 133.79 51.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.36 -46.3 89.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -53.29 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.651 HG11 ' OG ' ' A' ' 379' ' ' SER . 30.7 t -58.81 -39.8 78.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -47.6 85.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -59.98 -56.16 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.25 -31.73 69.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.602 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 442' ' ' VAL . 12.3 tpt180 -62.12 -58.67 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.92 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.609 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.74 -54.24 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.921 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -57.35 -48.66 78.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.4 t -59.86 -34.36 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.555 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 7.4 m -65.88 -44.89 83.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.173 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.867 ' O ' HD12 ' A' ' 448' ' ' ILE . 0.2 OUTLIER -61.09 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.735 179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.684 HD13 HD11 ' A' ' 420' ' ' LEU . 1.8 pp -51.11 -48.98 30.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 445' ' ' ILE . 7.1 tt0 -67.46 -25.31 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.148 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -72.87 -36.68 67.42 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.849 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 0.867 HD12 ' O ' ' A' ' 444' ' ' LYS . 1.7 mp -70.47 -46.49 70.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.0 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 416' ' ' LEU . 4.6 mp -59.68 -50.58 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.36 -51.66 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.663 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -38.78 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.656 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.7 mt -66.79 -36.07 81.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -39.78 77.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.37 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -86.51 -32.62 20.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.6 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.681 ' HB3' HG21 ' A' ' 434' ' ' VAL . 7.5 m . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.738 0.304 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 3.3 tt -94.3 -36.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.337 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -56.34 -40.35 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.727 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.8 OUTLIER -62.26 -56.75 15.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.044 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 383' ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 437' ' ' ALA . 33.9 pt -55.17 -37.6 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 37.0 mt -63.35 -50.24 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.533 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.34 -54.14 47.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.602 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 423' ' ' LEU . 25.4 m -59.42 -34.42 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -50.12 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -44.51 96.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.235 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -54.46 45.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 390' ' ' VAL . . . . . 0.84 HG11 ' HB3' ' A' ' 444' ' ' LYS . 74.0 t -61.24 -32.65 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.441 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.09 -55.63 32.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.86 -40.23 83.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.638 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' LEU . . . . . 0.512 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -60.77 -47.15 87.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.048 179.131 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 394' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 448' ' ' ILE . 21.6 tt0 -56.17 -43.37 78.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.131 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.01 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' GLU . . . . . 0.467 ' HB2' HD21 ' A' ' 412' ' ' LEU . 1.8 mt-10 -60.17 -56.66 18.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 412' ' ' LEU . 17.9 m -54.9 -38.93 46.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.843 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.38 -45.34 94.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.15 -4.3 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.321 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 400' ' ' PHE . . . . . 0.482 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 85.9 t80 -47.1 123.59 5.53 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 401' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -45.15 -45.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.516 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 402' ' ' GLY . . . . . 0.486 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 118.23 20.7 4.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 401' ' ' VAL . 1.6 ptpp? -148.19 148.34 30.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 7.5 tmtt? -84.85 55.1 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.4 m -123.31 -31.18 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.36 167.12 16.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.444 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -70.72 -17.8 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 408' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.877 0.37 . . . . 0.0 111.245 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 412' ' ' LEU . 2.5 t80 -50.93 -39.16 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.3 m0 -56.91 -65.19 0.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.939 0.399 . . . . 0.0 110.303 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.02 -28.29 69.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.916 HD13 HD21 ' A' ' 452' ' ' LEU . 24.0 mt -58.27 -70.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.7 -59.24 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 42.0 tpp -56.84 -36.18 69.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 448' ' ' ILE . 0.3 OUTLIER -58.75 -55.73 31.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 7.5 p -58.66 -45.88 88.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.5 -50.53 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.6 -41.44 90.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -52.09 67.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.39 -38.81 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -69.97 -38.08 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 386' ' ' VAL . 7.3 tt -67.89 -37.38 81.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.09 -21.19 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 3.1 m -94.85 37.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.299 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 382' ' ' LYS . 13.4 p -104.33 119.99 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -67.03 141.08 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' THR . . . . . 0.54 ' HB ' HG11 ' A' ' 434' ' ' VAL . 3.1 t -162.37 88.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.36 73.96 1.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.417 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 77.54 38.18 29.0 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 123.02 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.76 -43.35 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -66.16 -43.65 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' VAL . . . . . 0.681 HG21 ' HB3' ' A' ' 379' ' ' SER . 21.6 t -67.48 -41.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.45 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -52.3 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -59.47 -34.78 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 442' ' ' VAL . 6.8 ttt180 -61.04 -56.6 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 31.5 mmtt -59.87 -34.37 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.429 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.43 -44.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.459 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.03 -55.7 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.696 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.3 m -51.13 -42.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 41.8 m -67.21 -41.04 86.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.84 ' HB3' HG11 ' A' ' 390' ' ' VAL . 1.9 tttt -67.21 -54.26 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' A' ' 416' ' ' LEU . 1.9 pp -54.82 -51.1 55.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.809 0.337 . . . . 0.0 110.689 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.635 ' N ' HD12 ' A' ' 445' ' ' ILE . 4.7 pp0? -66.92 -28.17 68.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 110.059 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -62.99 -60.52 3.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.728 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 416' ' ' LEU . 1.1 pt -65.68 -30.65 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.745 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' LEU . . . . . 0.552 HD12 ' HG ' ' A' ' 416' ' ' LEU . 7.5 tt -64.67 -52.59 56.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.02 0.438 . . . . 0.0 110.261 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.93 97.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.317 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -38.05 79.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.4 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.916 HD21 HD13 ' A' ' 412' ' ' LEU . 8.1 mt -65.61 -48.79 71.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.738 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.06 -39.66 82.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -36.77 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -78.03 -34.52 50.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.23 101.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -91.47 179.9 1.47 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.957 2.438 . . . . 0.0 112.872 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.605 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.9 OUTLIER -89.94 7.97 34.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.996 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 383' ' ' ILE . 2.2 tp -37.59 -32.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 384' ' ' ILE . 12.1 tttt -52.35 -38.46 58.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -57.76 6.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.299 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 1.041 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.2 pp -55.84 -32.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.812 0.339 . . . . 0.0 111.022 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.498 HD11 ' CG1' ' A' ' 380' ' ' ILE . 30.0 mt -67.72 -50.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -56.19 -54.43 45.24 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.778 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.6 m -59.8 -35.66 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.462 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 383' ' ' ILE . 8.3 mt -58.05 -50.21 74.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.057 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.47 -45.09 94.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.948 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -45.92 84.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 386' ' ' VAL . 57.9 t -63.03 -34.75 68.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.294 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.53 -54.46 45.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -56.09 -45.52 79.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.853 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.943 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 397' ' ' VAL . 6.1 tt0 -57.33 -49.57 75.7 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.747 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.566 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.32 -55.78 24.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.4 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.77 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.8 m -56.11 -36.92 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -41.63 98.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.979 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.86 -4.8 58.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.8 t80 -41.08 127.36 2.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.828 0.346 . . . . 0.0 111.282 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.1 p -43.86 -45.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.488 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.49 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 115.72 25.45 3.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.622 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.17 124.35 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CG ' ' CD2' ' A' ' 409' ' ' TYR . 7.0 ttpt -61.74 -15.64 42.6 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.6 p -72.7 -21.68 61.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.05 147.2 45.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 9.6 tttp -62.6 -25.95 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.79 -50.97 62.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.728 ' HA ' HD12 ' A' ' 412' ' ' LEU . 9.5 t80 -59.11 -38.55 79.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 48.9 m0 -58.05 -61.26 2.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.151 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.2 pp -63.94 -27.56 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.921 HD23 HD23 ' A' ' 393' ' ' LEU . 11.6 mt -58.84 -68.37 0.27 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.12 -38.07 87.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 37.2 tpp -59.1 -38.83 80.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -63.35 -46.06 88.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.735 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.1 m -60.08 -50.19 74.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 386' ' ' VAL . 4.2 tp10 -58.8 -43.67 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.673 ' CD1' HD13 ' A' ' 445' ' ' ILE . 1.2 tt -61.69 -50.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.32 -31.51 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.689 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.5 pp -59.34 -29.49 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.35 -22.82 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 5.1 m -96.05 37.96 1.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 379' ' ' SER . 8.0 p -87.1 141.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -108.3 105.68 15.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.1 t -98.36 -47.32 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 428' ' ' THR . . . 55.08 26.94 43.98 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 102.25 58.43 0.78 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.585 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -124.9 121.15 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.66 -44.25 93.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -56.49 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.65 -35.09 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -59.98 -58.6 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.68 -47.56 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -63.1 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -59.35 -57.59 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.689 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -47.58 81.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.9 -42.28 89.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.38 77.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 438' ' ' ARG . 15.5 t -60.23 -39.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.6 OUTLIER -62.23 -47.37 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -61.99 -62.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.673 HD13 ' CD1' ' A' ' 420' ' ' LEU . 1.9 pp -48.5 -48.1 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.82 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.58 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.1 tt0 -68.59 -30.24 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.032 0.444 . . . . 0.0 109.93 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -68.73 -49.53 58.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.621 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 416' ' ' LEU . 14.7 tt -64.66 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.841 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 416' ' ' LEU . 1.2 tp -63.19 -49.07 75.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.586 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -43.08 96.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -60.31 -44.16 95.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.16 -42.73 86.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -66.25 -36.23 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -97.26 25.05 5.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.47 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.612 0.244 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 380' ' ' ILE . 50.1 Cg_exo -53.44 -177.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.574 2.183 . . . . 0.0 112.24 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.39 -21.35 17.78 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.579 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.699 ' HB2' HG21 ' A' ' 434' ' ' VAL . 0.0 OUTLIER -50.71 -26.55 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.386 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 377' ' ' PRO . 0.9 OUTLIER -80.71 -43.24 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 0.0 111.338 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -57.39 -40.11 77.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.042 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -63.3 -55.96 20.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 437' ' ' ALA . 46.7 pt -57.26 -36.25 51.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 380' ' ' ILE . 33.2 mt -65.8 -48.37 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.463 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -56.88 -53.02 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.863 HG21 HD12 ' A' ' 423' ' ' LEU . 23.1 m -58.75 -39.24 76.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.744 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 387' ' ' LEU . 14.0 mt -56.97 -54.43 46.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -42.47 83.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -47.33 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 444' ' ' LYS . 49.0 t -61.98 -39.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.55 -55.63 29.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.1 -38.82 77.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.759 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 397' ' ' VAL . 5.5 mt -63.59 -44.41 94.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.043 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.28 -49.71 71.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.993 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.81 -42.32 88.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.729 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.25 -35.8 80.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.083 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 393' ' ' LEU . 39.9 t -64.89 -47.33 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.307 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.95 -38.31 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.21 -16.9 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.483 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 86.8 t80 -47.59 122.58 4.94 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.7 p -45.76 -43.08 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.39 18.3 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.711 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.485 ' H ' HG13 ' A' ' 401' ' ' VAL . 8.3 mmmm -148.1 158.88 44.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.338 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.2 ttmm -90.55 47.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.1 m -116.36 -30.97 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -85.33 168.79 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -74.88 -15.2 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.64 -56.92 10.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 412' ' ' LEU . 4.2 t80 -56.67 -38.92 72.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -56.49 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -60.91 -30.17 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 1.004 HD13 HD11 ' A' ' 452' ' ' LEU . 13.4 mt -56.36 -70.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.641 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.46 -31.57 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -68.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.802 ' HG3' HD11 ' A' ' 393' ' ' LEU . 12.3 ptp -62.2 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.694 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.866 HD13 HD12 ' A' ' 449' ' ' LEU . 13.9 mt -59.6 -57.53 12.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.581 ' HA ' HD21 ' A' ' 420' ' ' LEU . 26.8 m -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -42.25 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.528 ' HG2' HG12 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -60.34 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 421' ' ' LEU . 3.1 pp -56.62 -39.48 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 420' ' ' LEU . 32.2 tp -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.641 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.863 HD12 HG21 ' A' ' 386' ' ' VAL . 6.6 tt -61.98 -46.37 89.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.805 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -55.51 -21.77 18.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.218 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 58.0 m -94.8 25.75 3.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.353 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.783 HG23 ' HB2' ' A' ' 382' ' ' LYS . 11.7 p -82.01 124.71 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.84 74.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 m -98.08 83.05 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.28 -67.23 2.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.579 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -162.41 47.31 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 434' ' ' VAL . 5.5 tp60 -97.85 126.74 43.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.46 -44.58 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -49.73 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 379' ' ' SER . 22.7 t -62.97 -35.07 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.52 26.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.07 -42.11 84.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.341 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -64.89 -34.63 78.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.8 ttt-85 -63.56 -56.17 18.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.434 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 9.5 ttpt -60.2 -35.93 76.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.342 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.66 -42.77 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.86 -58.14 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 11.3 m -47.6 -44.59 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.936 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -65.89 -42.83 89.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.177 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.658 ' HG2' HG11 ' A' ' 390' ' ' VAL . 3.7 tttt -65.38 -58.17 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.868 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.5 pp -51.56 -46.64 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.572 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.726 ' N ' HD12 ' A' ' 445' ' ' ILE . 13.7 tp60 -68.93 -33.5 73.84 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.92 -51.34 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.548 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 397' ' ' VAL . 15.5 tt -63.45 -38.16 81.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.561 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.866 HD12 HD13 ' A' ' 416' ' ' LEU . 1.2 mp -61.17 -50.66 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.454 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.66 -43.69 97.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -58.75 -43.18 90.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -64.16 -46.25 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.96 -40.85 85.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -68.57 -41.25 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -73.65 -35.01 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.452 -1.194 . . . . 0.0 112.561 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.591 0.234 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.1 110.14 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.527 2.152 . . . . 0.0 112.101 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.79 91.23 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.442 2.095 . . . . 0.0 112.712 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.441 ' CB ' HG23 ' A' ' 426' ' ' VAL . 22.9 t -103.11 7.45 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.84 ' CD1' HD11 ' A' ' 383' ' ' ILE . 0.5 OUTLIER -41.43 -32.87 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.846 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -48.8 -31.83 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 386' ' ' VAL . 4.9 mmtp -67.25 -54.76 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.817 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 380' ' ' ILE . 5.6 pt -59.67 -30.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 381' ' ' LYS . 18.6 mt -70.58 -51.58 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.96 -51.76 67.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 423' ' ' LEU . 10.5 p -61.92 -41.01 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 386' ' ' VAL . 9.2 mt -53.65 -54.49 37.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.649 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.06 -47.09 87.33 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.361 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -46.1 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.0 t -60.4 -40.35 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.361 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.47 -52.15 66.55 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.092 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.849 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.6 OUTLIER -62.46 -41.12 98.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 179.137 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.92 -50.52 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.955 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.4 -42.45 82.25 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.872 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' GLU . . . . . 0.496 ' HG3' HD21 ' A' ' 412' ' ' LEU . 8.8 tp10 -62.54 -37.64 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.99 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 393' ' ' LEU . 51.8 t -61.41 -47.7 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.342 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.33 -37.16 86.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.383 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.81 -12.71 57.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.208 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 57.9 t80 -43.56 138.9 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.876 0.37 . . . . 0.0 111.18 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.2 p -49.82 -47.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.483 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.25 -44.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.711 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -108.45 157.2 18.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -76.68 60.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 4.8 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.71 155.27 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 11.3 tttt -62.6 -18.45 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.79 -61.64 2.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.373 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.63 ' CE1' HD22 ' A' ' 452' ' ' LEU . 2.6 t80 -49.87 -39.75 40.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.6 m0 -57.74 -63.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.162 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -62.53 -25.64 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 452' ' ' LEU . 11.1 mt -59.6 -65.39 0.68 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 416' ' ' LEU . 5.7 pt-20 -63.88 -36.39 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.908 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 413' ' ' GLU . 3.7 tt0 -60.2 -57.36 13.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.401 ' HB3' HD11 ' A' ' 393' ' ' LEU . 4.0 tpp -59.68 -39.66 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 449' ' ' LEU . 14.5 mt -60.23 -50.88 71.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 22.3 p -58.67 -46.76 86.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -51.33 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 386' ' ' VAL . 1.1 tp10 -58.58 -41.16 85.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.43 -51.36 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.66 -32.22 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.35 -58.06 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 386' ' ' VAL . 2.9 pp -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.59 -20.93 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.266 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 25.0 p -93.72 38.02 1.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.757 0.313 . . . . 0.0 111.337 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.441 HG23 ' CB ' ' A' ' 379' ' ' SER . 12.3 p -101.25 136.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.074 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.16 116.84 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.496 HG21 ' HD3' ' A' ' 438' ' ' ARG . 10.0 t -136.79 31.38 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.06 49.79 3.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 138.43 44.82 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -155.28 109.5 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.27 -31.17 67.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -62.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 426' ' ' VAL . 25.2 t -59.87 -32.13 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -59.31 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.553 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.04 83.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.833 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -63.97 -36.39 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.758 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.6 OUTLIER -60.59 -54.58 43.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.504 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -59.95 -42.89 95.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.1 -46.17 91.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.502 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.77 93.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 438' ' ' ARG . 27.3 t -63.5 -41.34 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.4 t -63.14 -45.25 92.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.501 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -62.52 -60.96 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 446' ' ' GLN . 1.9 pp -49.34 -48.4 18.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.595 ' N ' HD12 ' A' ' 445' ' ' ILE . 5.1 mt-30 -68.32 -31.96 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.875 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.74 -53.97 33.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.592 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 416' ' ' LEU . 13.4 tt -62.15 -39.02 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.561 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 416' ' ' LEU . 1.3 mp -58.92 -56.49 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.38 -35.06 74.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.09 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 412' ' ' LEU . 11.2 mt -67.8 -40.67 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.759 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -38.6 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -76.58 -37.07 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 25.06 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.449 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.695 0.283 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.442 ' HB3' ' HD2' ' A' ' 378' ' ' PRO . 51.7 Cg_exo -52.61 -175.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.012 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 377' ' ' PRO . 92.8 Cg_endo -80.59 50.08 3.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.451 2.101 . . . . 0.0 112.69 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.799 ' OG ' HG21 ' A' ' 434' ' ' VAL . 6.2 p -103.3 -38.03 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.574 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.8 OUTLIER -75.08 -36.99 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.311 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -42.02 81.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -64.07 -55.08 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.6 tp -58.38 -36.51 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.174 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.574 HD11 ' CG1' ' A' ' 380' ' ' ILE . 49.7 mt -64.88 -47.62 87.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.398 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -56.98 -54.16 49.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.445 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 423' ' ' LEU . 24.2 m -58.89 -35.31 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.52 -49.51 77.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.109 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.98 -44.32 91.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.993 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.403 ' HD2' ' CG ' ' A' ' 415' ' ' MET . 0.6 OUTLIER -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.065 179.055 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.1 t -63.6 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -56.85 -51.71 67.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.837 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.3 -45.45 84.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.659 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -61.71 -36.09 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 397' ' ' VAL . 1.2 tm-20 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.025 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.37 -42.55 99.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.9 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.37 -58.39 8.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.509 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.684 HG12 HD13 ' A' ' 412' ' ' LEU . 34.9 m -52.67 -36.93 23.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.622 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.27 -44.62 94.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -84.34 -4.57 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.936 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 84.6 t80 -41.2 136.38 1.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.374 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 402' ' ' GLY . 3.8 p -45.82 -51.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.628 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.73 -35.07 2.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.667 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 154.06 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.416 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 9.6 tttm -82.14 55.97 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -8.8 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -104.04 155.2 18.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.733 0.302 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.431 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.9 OUTLIER -60.91 -19.35 60.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.26 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.22 -62.54 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.385 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.698 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.5 t80 -52.37 -36.1 52.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.6 m0 -58.67 -63.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.272 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 1.1 pp -63.16 -27.21 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.2 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 393' ' ' LEU . 12.4 mt -57.46 -71.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.365 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' A' ' 416' ' ' LEU . 10.8 mm-40 -59.01 -42.15 89.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.947 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.77 -55.73 28.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 393' ' ' LEU . 33.1 tpp -58.18 -39.72 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.652 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 413' ' ' GLU . 15.7 mt -59.6 -53.49 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -46.58 80.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -46.74 84.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -45.75 89.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.6 ' HG ' HG21 ' A' ' 445' ' ' ILE . 12.8 mt -58.17 -53.4 58.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.88 -30.86 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.17 -60.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.796 ' HB3' HG11 ' A' ' 386' ' ' VAL . 2.8 pp -59.76 -29.39 68.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.017 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.26 -22.28 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.5 m -95.89 38.2 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.178 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.3 p -89.82 147.35 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -114.84 79.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.4 t -73.56 -47.98 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.448 ' N ' HG23 ' A' ' 428' ' ' THR . . . 53.54 24.37 23.89 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.572 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 103.72 98.83 2.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -165.56 122.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -45.67 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -55.38 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.799 HG21 ' OG ' ' A' ' 379' ' ' SER . 35.7 t -58.14 -41.71 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -45.34 91.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.63 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.94 -53.41 57.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.452 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.47 -34.01 72.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.597 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 442' ' ' VAL . 1.7 ttt85 -62.43 -62.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -44.82 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.996 0.427 . . . . 0.0 110.831 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.88 -53.02 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.57 -47.19 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 438' ' ' ARG . 43.4 t -55.17 -41.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.3 m -63.51 -50.25 70.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.269 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -57.28 -48.88 77.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 442' ' ' VAL . 9.2 mt -55.49 -52.57 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.55 -28.34 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.931 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -70.53 -47.28 61.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.734 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 445' ' ' ILE . 11.0 tt -66.54 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.3 mp -65.63 -54.74 23.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.589 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.45 -41.5 85.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.94 -46.55 89.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.698 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.0 mt -59.89 -47.15 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.93 -42.48 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -52.91 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.768 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -67.49 -35.04 78.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.565 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.475 ' O ' HG22 ' A' ' 380' ' ' ILE . 49.7 m . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 378' ' ' PRO . 39.1 Cg_exo -55.84 -45.54 38.13 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.652 2.234 . . . . 0.0 112.634 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 377' ' ' PRO . 36.7 Cg_exo -57.53 -19.7 37.91 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.273 1.982 . . . . 0.0 112.52 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 434' ' ' VAL . 1.0 OUTLIER -103.25 -33.43 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.789 -179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 1.0 OUTLIER -97.99 -46.71 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.33 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 380' ' ' ILE . 6.1 tttm -47.29 -32.77 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -66.95 -60.48 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.971 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.5 tp -57.39 -35.31 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.034 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 45.6 mt -65.25 -47.92 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 381' ' ' LYS . 57.5 m170 -56.53 -53.72 54.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.336 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 390' ' ' VAL . 22.7 m -59.43 -34.9 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -51.6 69.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.124 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -45.37 90.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.949 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.81 -40.88 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.035 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 386' ' ' VAL . 58.0 t -64.35 -39.89 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -52.54 65.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.02 -45.43 83.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.771 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.673 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.61 -34.38 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.819 178.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.469 ' O ' HG12 ' A' ' 397' ' ' VAL . 10.9 tt0 -60.08 -49.2 78.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.877 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -39.53 92.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.775 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.0 -56.58 19.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.491 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.737 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.2 p -56.72 -35.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.399 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.048 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.26 -4.9 58.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.176 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 48.2 t80 -41.98 142.09 0.76 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.916 0.389 . . . . 0.0 111.334 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 402' ' ' GLY . 5.5 p -49.83 -48.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.478 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.76 -39.45 1.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.574 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -111.42 142.68 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 62.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.91 -31.16 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.61 158.55 24.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -57.54 -23.18 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.29 -64.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.227 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.746 ' CE1' HD23 ' A' ' 452' ' ' LEU . 23.6 t80 -47.59 -39.56 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.2 m0 -57.72 -64.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.315 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.1 pp -62.96 -25.15 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.627 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 452' ' ' LEU . 13.2 mt -59.57 -67.89 0.34 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.064 0.459 . . . . 0.0 110.49 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.3 tt0 -63.05 -38.49 91.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.27 -54.98 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.435 ' HB3' HD11 ' A' ' 393' ' ' LEU . 17.5 tpp -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.694 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 393' ' ' LEU . 10.2 mt -58.82 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.0 p -59.98 -43.53 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -57.79 -55.26 37.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.829 ' OE2' HG22 ' A' ' 390' ' ' VAL . 18.6 pt-20 -59.17 -36.83 75.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.683 HD23 ' OD2' ' A' ' 424' ' ' ASP . 1.0 OUTLIER -60.02 -53.36 58.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.21 -33.94 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.07 -60.29 4.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.757 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.9 pp -64.71 -31.56 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.683 ' OD2' HD23 ' A' ' 420' ' ' LEU . 19.5 m-20 -54.26 -24.97 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.99 37.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.31 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -96.13 97.21 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.893 ' OG1' HG11 ' A' ' 434' ' ' VAL . 46.2 m -135.92 97.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.66 28.58 12.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 145.55 61.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.584 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -132.89 116.47 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.38 -42.46 98.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.493 ' CB ' HD13 ' A' ' 380' ' ' ILE . 0.7 OUTLIER -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.893 HG11 ' OG1' ' A' ' 428' ' ' THR . 38.4 t -58.92 -38.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -53.54 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -58.23 -54.07 51.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.724 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.764 ' O ' HG13 ' A' ' 442' ' ' VAL . 16.2 ttt85 -62.47 -55.67 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -60.93 -37.37 82.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.344 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.31 -47.34 70.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.988 0.423 . . . . 0.0 110.114 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.971 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -67.14 -51.67 51.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 438' ' ' ARG . 26.3 m -53.4 -44.99 56.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.496 ' N ' HG23 ' A' ' 442' ' ' VAL . 49.8 t -63.41 -45.76 89.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -56.73 15.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.6 pt -52.63 -44.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.475 ' N ' HG13 ' A' ' 445' ' ' ILE . 28.5 mm-40 -71.13 -31.75 68.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.202 0.525 . . . . 0.0 109.813 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.32 69.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.508 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 416' ' ' LEU . 16.1 tt -67.95 -38.53 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.734 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.4 mp -61.88 -50.79 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.6 -42.42 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.683 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -60.37 -39.12 86.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.837 HD11 HD13 ' A' ' 412' ' ' LEU . 0.2 OUTLIER -72.29 -45.55 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -30.38 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -55.08 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -34.92 78.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.587 0.232 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.69 170.48 20.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 62.13 2.26 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 434' ' ' VAL . 0.3 OUTLIER -103.27 -23.55 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.131 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.54 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.7 OUTLIER -65.91 -45.24 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 0.0 111.514 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.0 OUTLIER -55.19 -40.3 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.199 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.665 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -64.23 -55.58 20.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 434' ' ' VAL . 35.5 pt -56.28 -35.69 43.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.54 HD11 ' CG1' ' A' ' 380' ' ' ILE . 26.1 mt -66.66 -52.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.7 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -57.21 -56.08 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 423' ' ' LEU . 30.1 m -57.98 -37.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.79 -52.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.22 -44.75 92.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.447 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -56.43 -46.32 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.538 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 386' ' ' VAL . 99.1 t -63.78 -38.27 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.2 -54.29 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 110.059 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.07 -44.58 87.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.94 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.693 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -61.5 -38.18 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.165 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG12 ' A' ' 397' ' ' VAL . 8.5 mt-10 -60.05 -47.82 84.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.066 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -60.87 -44.28 97.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.223 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.39 -57.76 11.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 452' ' ' LEU . 9.7 p -54.4 -36.13 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.705 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -41.56 98.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.377 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.36 -2.43 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.25 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 92.4 t80 -44.92 140.63 2.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.563 HG13 ' H ' ' A' ' 402' ' ' GLY . 2.5 p -45.05 -57.71 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.812 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.563 ' H ' HG13 ' A' ' 401' ' ' VAL . . . 141.97 -29.75 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.594 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -115.29 151.9 33.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 409' ' ' TYR . 1.5 ttmp? -77.9 61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -30.98 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.194 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.98 149.94 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 4.1 mttt -59.86 -23.51 63.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.68 -45.82 58.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 452' ' ' LEU . 26.3 t80 -60.86 -41.72 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 37.4 m0 -57.25 -57.26 13.4 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.5 pp -66.89 -30.02 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.855 HD13 HD21 ' A' ' 452' ' ' LEU . 9.8 mt -55.95 -68.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 110.347 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.42 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.805 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.38 -56.51 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.0 mmt -56.45 -39.58 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.022 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -56.56 -57.54 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 59.8 p -56.1 -43.91 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -54.82 -51.02 67.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 386' ' ' VAL . 5.3 tp10 -60.75 -42.99 98.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 445' ' ' ILE . 6.6 tt -57.42 -51.3 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.2 -41.75 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -29.52 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 386' ' ' VAL . 7.2 tt -74.17 -36.35 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.44 -20.0 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 71.1 m -71.89 -26.7 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.311 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 423' ' ' LEU . 10.7 p -56.1 141.88 12.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.813 0.34 . . . . 0.0 111.164 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -116.04 99.1 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 428' ' ' THR . 9.8 t -92.32 75.96 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.55 70.51 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.693 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 106.48 -25.52 22.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.697 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' GLN . . . . . 0.663 ' HG2' HG23 ' A' ' 434' ' ' VAL . 11.1 tt0 -59.77 96.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.985 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.26 -36.83 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -53.71 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.829 ' HA ' HD13 ' A' ' 383' ' ' ILE . 21.2 t -62.69 -34.64 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.777 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -54.51 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.395 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -59.44 -49.77 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.33 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.42 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.5 mtp180 -64.27 -59.19 4.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.546 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.4 OUTLIER -57.54 -37.47 73.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.406 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.25 -40.6 94.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.1 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -55.27 14.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.546 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.9 m -50.31 -46.89 26.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 442' ' ' VAL . 2.0 m -64.26 -43.48 94.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.305 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -54.88 30.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 420' ' ' LEU . 29.2 pt -54.25 -44.51 65.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.465 ' N ' HG13 ' A' ' 445' ' ' ILE . 2.8 mt-30 -71.26 -30.82 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.59 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.755 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 1.022 HD13 HD21 ' A' ' 416' ' ' LEU . 11.2 tt -67.9 -42.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.923 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.463 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -63.98 -48.42 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.54 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -59.86 -37.96 80.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.855 HD21 HD13 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -63.86 -49.33 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.48 -40.96 93.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -67.94 -42.54 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -35.04 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.508 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 379' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 376' ' ' THR . 28.3 Cg_exo -60.27 -47.79 13.6 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.401 2.067 . . . . 0.0 112.85 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.431 ' HD3' ' HB2' ' A' ' 377' ' ' PRO . 73.1 Cg_endo -87.79 24.17 0.74 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.727 2.284 . . . . 0.0 113.049 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.682 ' HB3' HG22 ' A' ' 376' ' ' THR . 6.9 p -101.26 -53.9 2.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 433' ' ' SER . 11.0 tt -77.02 -36.84 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.9 tttp -47.47 -47.73 27.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.579 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER -59.88 -45.41 92.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.781 HG21 ' HB1' ' A' ' 437' ' ' ALA . 5.4 mm -64.11 -34.0 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 381' ' ' LYS . 16.5 mt -66.51 -45.29 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.27 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -60.33 -55.86 28.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.381 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.911 HG11 HD13 ' A' ' 423' ' ' LEU . 7.7 p -57.59 -36.03 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.33 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -61.15 -44.82 96.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 389' ' ' LYS . 0.2 OUTLIER -60.3 -42.51 95.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.909 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.2 t -63.03 -37.5 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -61.16 -55.88 27.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.885 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -58.44 -42.33 87.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.815 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.793 HD22 ' CD2' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.4 -39.69 94.09 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.949 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.441 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.3 mt-10 -59.19 -46.07 89.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.992 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.449 ' NE2' ' OE1' ' A' ' 399' ' ' GLU . 0.0 OUTLIER -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.03 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.14 -59.07 6.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.498 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.499 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.7 p -52.81 -36.85 24.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.231 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' A' ' 395' ' ' GLN . 15.8 mt-10 -90.05 -2.16 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.368 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 81.8 t80 -43.52 120.9 2.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 111.272 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.8 p -46.29 -42.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.459 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.81 27.04 2.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.512 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -146.23 132.66 19.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -8.97 57.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.581 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 62.4 p -72.74 -28.09 62.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.657 0.265 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.5 162.31 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 11.9 ptpt -72.05 -25.68 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.88 25.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.662 ' HA ' HD12 ' A' ' 412' ' ' LEU . 5.4 t80 -57.37 -39.2 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.1 m0 -56.93 -65.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.991 0.424 . . . . 0.0 110.286 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.4 pp -63.08 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.356 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 393' ' ' LEU . 8.2 mt -55.76 -67.41 0.29 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -40.61 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.1 -57.25 13.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.755 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.519 ' HB3' HD11 ' A' ' 393' ' ' LEU . 2.5 mtt -58.86 -37.51 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -59.24 -55.47 34.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -43.05 89.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -55.35 -60.2 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 386' ' ' VAL . 67.1 mm-40 -58.08 -34.98 70.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 420' ' ' LEU . 8.4 tt -58.72 -50.77 72.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.63 -41.97 95.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -64.63 -32.86 74.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.911 HD13 HG11 ' A' ' 386' ' ' VAL . 53.0 tp -71.62 -52.38 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.5 -24.21 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 2.6 m -97.43 38.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 383' ' ' ILE . 14.9 p -104.13 142.71 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 150.6 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.4 t -165.46 76.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -78.41 61.73 3.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.85 16.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -103.8 113.13 26.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -57.02 -32.47 66.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.873 ' HB2' HD12 ' A' ' 380' ' ' ILE . 22.6 p -58.95 -57.89 11.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.479 HG11 ' HB ' ' A' ' 428' ' ' THR . 88.1 t -67.58 -27.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -38.73 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.338 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.781 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -65.9 -33.34 75.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.849 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 442' ' ' VAL . 5.5 ttt180 -70.46 -57.02 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -55.12 -47.86 74.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.91 -44.46 94.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.248 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.61 96.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 438' ' ' ARG . 21.9 t -58.8 -48.67 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.7 OUTLIER -59.96 -39.57 86.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.312 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -58.77 5.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 446' ' ' GLN . 20.3 pt -50.82 -44.68 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 445' ' ' ILE . 22.3 mt-30 -71.3 -33.21 69.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.55 -48.17 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.636 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 416' ' ' LEU . 8.9 tt -65.47 -44.54 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.755 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -57.88 -51.67 68.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.519 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -44.11 92.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.19 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.622 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 412' ' ' LEU . 3.0 mt -65.44 -47.67 75.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.49 -37.99 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -77.98 -30.56 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -103.5 25.13 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.463 0.173 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.36 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.548 2.165 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.411 ' HG2' HG22 ' A' ' 380' ' ' ILE . 80.2 Cg_endo -90.41 163.72 4.46 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.933 2.422 . . . . 0.0 112.696 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.876 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.8 m -89.4 7.44 35.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.081 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 384' ' ' ILE . 3.2 tt -43.24 -30.09 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.872 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.817 ' HA ' HD12 ' A' ' 384' ' ' ILE . 4.6 mmtt -45.8 -58.55 3.41 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.966 0.412 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.806 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.5 OUTLIER -60.6 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.302 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.92 HD11 HG21 ' A' ' 426' ' ' VAL . 16.5 mm -69.44 -36.36 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.2 mt -68.54 -46.27 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.322 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.53 -56.97 14.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.336 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 382' ' ' LYS . 21.3 m -58.18 -35.55 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.16 -49.97 75.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -58.7 -44.42 90.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.003 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.81 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.152 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 386' ' ' VAL . 56.3 t -62.21 -38.36 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.304 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.95 -53.75 53.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.067 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.29 -44.15 88.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.776 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.2 OUTLIER -60.41 -40.49 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.966 179.189 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.38 -49.47 77.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.954 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -56.71 -43.79 80.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.76 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.55 -38.36 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.996 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.883 HG21 HG13 ' A' ' 448' ' ' ILE . 47.9 t -61.21 -49.73 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.144 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.51 -36.02 75.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.192 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.25 -14.89 52.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.998 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.4 t80 -43.06 121.1 2.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.865 0.364 . . . . 0.0 111.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.9 p -44.71 -43.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.521 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.29 26.7 2.85 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.614 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.2 131.48 18.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -11.3 58.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.545 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.1 m -72.73 -24.34 60.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.732 0.301 . . . . 0.0 110.951 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -74.41 151.23 39.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 26.8 tttt -64.79 -23.67 67.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.38 -53.98 31.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.414 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.705 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.9 t80 -57.3 -40.23 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.437 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.9 m0 -57.03 -63.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.171 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.28 -31.62 71.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.945 HD13 HD11 ' A' ' 452' ' ' LEU . 11.0 mt -53.91 -67.54 0.25 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.71 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 417' ' ' THR . 0.9 OUTLIER -63.14 -35.36 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.74 -64.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.665 ' HB3' HD11 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -56.01 -43.57 77.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.903 HD21 HG23 ' A' ' 448' ' ' ILE . 12.2 tp -60.03 -52.63 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 413' ' ' GLU . 15.0 p -54.02 -46.96 71.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -58.59 -42.58 88.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -58.47 -47.74 83.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -58.6 -52.65 64.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.677 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.97 -29.74 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.52 -37.5 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 420' ' ' LEU . 0.3 OUTLIER -76.73 -27.21 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.81 -21.16 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 57.6 m -71.83 -18.45 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.92 HG21 HD11 ' A' ' 383' ' ' ILE . 14.7 p -56.01 140.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 111.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -108.91 121.23 44.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 428' ' ' THR . 3.8 t -123.74 102.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.33 28.85 11.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.415 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 117.13 35.03 1.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -104.28 122.86 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.84 -36.79 72.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -56.24 -69.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.42 -23.77 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.266 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -64.04 -40.73 96.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -62.04 -39.83 93.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.914 ' O ' HG23 ' A' ' 442' ' ' VAL . 8.2 tpt180 -65.17 -56.07 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.538 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.0 -50.24 69.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.78 -36.25 83.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -67.05 -50.89 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.882 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 438' ' ' ARG . 6.4 t -59.72 -40.17 81.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 51.6 t -64.53 -45.08 88.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -60.53 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 420' ' ' LEU . 2.0 pp -49.84 -47.71 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.351 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.614 ' N ' HD12 ' A' ' 445' ' ' ILE . 30.3 tp60 -68.56 -30.87 69.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.09 0.471 . . . . 0.0 109.825 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.03 -46.58 67.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.709 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.903 HG23 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -66.81 -39.19 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.837 ' CD1' HD23 ' A' ' 416' ' ' LEU . 2.4 tp -64.23 -51.52 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.699 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -42.11 97.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -45.1 94.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.744 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -63.13 -44.3 95.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.71 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -30.53 60.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.47 25.03 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 378' ' ' PRO . 72.9 Cg_exo -48.87 105.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.621 2.214 . . . . 0.0 112.281 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 377' ' ' PRO . 55.6 Cg_endo -70.14 84.99 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.519 2.146 . . . . 0.0 112.587 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 5.1 m -103.1 7.36 38.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.006 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 383' ' ' ILE . 6.8 tp -47.07 -27.72 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.743 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -46.85 -53.06 12.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.688 ' HD3' HG23 ' A' ' 426' ' ' VAL . 0.6 OUTLIER -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.939 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 426' ' ' VAL . 17.7 mt -66.87 -40.5 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.951 0.405 . . . . 0.0 110.582 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 381' ' ' LYS . 17.3 mt -66.82 -42.83 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.237 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.408 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.4 m -59.54 -38.13 73.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.0 -51.78 67.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.238 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.9 -44.67 91.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.206 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.553 ' HE2' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.44 -42.13 81.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.079 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 386' ' ' VAL . 38.6 t -63.87 -39.22 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.221 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -53.36 59.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -56.51 -48.83 76.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.165 0.507 . . . . 0.0 110.116 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.796 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -59.88 -41.59 91.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.974 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 397' ' ' VAL . 4.8 tt0 -57.74 -40.49 79.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.66 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.53 -55.65 16.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.584 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 393' ' ' LEU . 10.5 pt-20 -62.06 -50.79 70.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.82 HG12 HD13 ' A' ' 412' ' ' LEU . 18.5 m -58.49 -37.25 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.91 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.29 -9.06 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.094 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 412' ' ' LEU . 9.9 t80 -46.46 158.75 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 111.302 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.2 p -73.92 -50.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.53 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 125.36 33.13 0.74 Allowed Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.863 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.816 ' HG2' HG22 ' A' ' 405' ' ' THR . 1.0 OUTLIER -118.05 133.61 55.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.77 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 409' ' ' TYR . 7.4 ptmt -94.57 -21.85 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.499 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' THR . . . . . 0.816 HG22 ' HG2' ' A' ' 403' ' ' LYS . 9.2 t -72.94 -29.48 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.61 142.58 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.11 70.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 411' ' ' LEU . . . -51.97 -56.54 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.988 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.814 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.6 t80 -60.39 -31.43 70.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.108 0.48 . . . . 0.0 109.893 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -52.71 63.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.055 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 408' ' ' ALA . 0.3 OUTLIER -65.71 -37.78 87.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.82 HD13 HG12 ' A' ' 397' ' ' VAL . 19.2 mt -51.44 -68.66 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.02 0.438 . . . . 0.0 110.202 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.5 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.43 -63.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -36.5 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.044 HD21 HD13 ' A' ' 448' ' ' ILE . 20.6 mt -57.54 -57.94 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.776 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.9 m -57.43 -40.73 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.09 -53.54 56.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.452 ' HG3' HG12 ' A' ' 386' ' ' VAL . 0.3 OUTLIER -60.18 -39.84 87.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 445' ' ' ILE . 8.0 tt -57.93 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.07 -49.76 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -29.98 68.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 383' ' ' ILE . 2.0 tm? -71.6 -52.85 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -22.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.733 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.4 m -86.94 38.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.608 0.242 . . . . 0.0 111.364 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 383' ' ' ILE . 9.2 p -96.81 148.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.756 0.312 . . . . 0.0 110.978 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -102.9 122.63 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.424 ' HB ' HG11 ' A' ' 434' ' ' VAL . 4.6 t -131.82 -48.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.57 27.57 61.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 100.83 50.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -113.51 130.57 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.68 -39.23 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -54.58 -67.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.753 HG13 HD11 ' A' ' 383' ' ' ILE . 52.4 t -61.94 -25.25 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -58.58 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.519 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.21 -43.26 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -60.83 -39.02 87.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -69.19 -58.86 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -52.61 -49.79 64.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.69 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -62.81 -43.09 99.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -48.41 77.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.984 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 438' ' ' ARG . 22.4 t -57.82 -46.4 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.33 -45.66 92.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.345 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.95 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.992 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.792 HD12 HD12 ' A' ' 420' ' ' LEU . 27.5 pt -48.38 -44.71 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.458 ' N ' HG13 ' A' ' 445' ' ' ILE . 0.9 OUTLIER -69.79 -34.68 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.01 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.351 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 1.044 HD13 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -62.14 -41.47 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -51.11 71.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.64 -42.98 94.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -57.56 -44.25 85.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.699 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.814 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.2 mt -64.05 -46.35 84.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.81 -36.66 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -76.65 -32.28 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -32.16 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.603 0.24 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.33 170.71 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.344 2.03 . . . . 0.0 112.127 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.12 59.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.537 2.158 . . . . 0.0 112.398 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.693 ' OG ' HG21 ' A' ' 434' ' ' VAL . 35.0 p -103.34 -51.23 3.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.9 tp -55.59 -39.61 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -52.77 -46.45 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -38.4 90.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.695 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.911 HD12 HG22 ' A' ' 434' ' ' VAL . 52.7 mt -67.28 -46.55 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 385' ' ' HIS . 32.9 pt -63.37 -39.39 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.384 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 385' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 384' ' ' ILE . 5.3 m170 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.283 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.929 HG21 HD13 ' A' ' 423' ' ' LEU . 31.3 m -58.72 -33.53 49.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.3 -52.63 64.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.027 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -57.89 -43.61 86.19 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.92 -40.92 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 386' ' ' VAL . 49.5 t -65.78 -37.73 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.24 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -58.98 -53.44 58.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.993 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.41 -45.91 84.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.849 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' ' 389' ' ' LYS . 0.3 OUTLIER -62.45 -34.6 77.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 397' ' ' VAL . 15.8 tt0 -60.56 -47.21 87.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.25 -40.32 97.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.754 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -54.89 40.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.728 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.2 m -58.72 -35.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.435 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -62.66 -40.25 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.935 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.57 -12.76 50.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.993 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.7 t80 -46.4 129.05 10.52 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.844 0.354 . . . . 0.0 110.977 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.6 p -46.07 -47.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.584 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.502 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.62 22.68 3.29 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.875 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 125.01 11.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.792 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.84 64.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.5 m -131.92 -31.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.311 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.68 161.42 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.7 OUTLIER -59.63 -20.5 56.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.97 -57.83 9.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.721 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.2 t80 -58.18 -36.45 73.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.0 m0 -56.97 -64.69 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.176 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.335 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.728 HD22 ' CG1' ' A' ' 397' ' ' VAL . 12.6 mt -56.47 -68.91 0.17 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.31 -54.72 43.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.476 ' CG ' HD11 ' A' ' 393' ' ' LEU . 22.3 tpp -58.92 -40.63 85.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.931 ' HG ' HD13 ' A' ' 449' ' ' LEU . 0.0 OUTLIER -58.8 -46.91 86.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 6.5 m -60.59 -51.01 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -55.24 -46.07 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.713 ' OE1' HG22 ' A' ' 390' ' ' VAL . 1.4 tt0 -60.25 -43.01 96.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 420' ' ' LEU . 7.8 tt -59.85 -44.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -45.88 91.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.69 -44.6 93.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.929 HD13 HG21 ' A' ' 386' ' ' VAL . 17.7 tp -62.95 -44.09 97.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.04 -20.24 37.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.409 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 60.2 p -94.38 38.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.262 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.5 p -103.73 140.08 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.98 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -98.3 73.84 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.455 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.5 t -53.11 -45.68 68.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 59.32 27.32 62.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.562 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.77 64.19 2.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.81 128.94 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -58.7 -48.45 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.7 m -56.04 -55.47 32.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.911 HG22 HD12 ' A' ' 383' ' ' ILE . 2.2 t -65.76 -29.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -55.36 35.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.253 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.97 -40.33 91.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.242 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.868 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -64.49 -32.39 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.626 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -54.61 10.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.565 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 442' ' ' VAL . 14.3 mttt -58.4 -47.71 83.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -63.75 -39.39 94.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -61.48 -54.51 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.85 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 445' ' ' ILE . 12.9 p -60.23 -36.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 22.3 t -64.12 -39.03 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.971 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.564 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -64.46 -55.19 22.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.796 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.599 HG22 ' OE1' ' A' ' 419' ' ' GLU . 17.7 pt -53.75 -44.96 60.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 121.002 0.43 . . . . 0.0 110.58 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 445' ' ' ILE . 1.8 mm100 -71.41 -30.85 66.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.76 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.27 -49.32 57.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.757 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.745 HG21 HD21 ' A' ' 416' ' ' LEU . 17.8 tt -64.59 -46.72 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.009 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.931 HD13 ' HG ' ' A' ' 416' ' ' LEU . 4.0 tp -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.01 -49.98 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.309 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -38.79 82.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.396 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 409' ' ' TYR . 2.8 mt -59.49 -52.3 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -43.62 91.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.29 -34.98 77.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -101.31 25.15 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.436 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.373 0.13 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.87 108.74 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.392 2.061 . . . . 0.0 112.082 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.1 125.89 1.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.725 2.283 . . . . 0.0 112.876 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.8 t -90.0 7.45 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 384' ' ' ILE . 2.0 tt -44.71 -27.76 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.1 tmtm? -44.97 -56.4 4.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -62.6 -34.74 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.618 HG21 ' CB ' ' A' ' 437' ' ' ALA . 28.7 mm -65.82 -40.45 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.0 mt -66.73 -43.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.291 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.86 -52.12 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.349 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 390' ' ' VAL . 26.9 m -61.54 -37.72 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.38 -55.81 28.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -42.55 90.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.405 ' CE ' ' CD1' ' A' ' 393' ' ' LEU . 1.2 tmtp? -58.5 -43.05 88.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 386' ' ' VAL . 48.7 t -64.45 -39.87 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.16 -53.09 62.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -57.19 -54.22 49.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.0 OUTLIER -56.17 -39.77 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.36 -47.41 78.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -46.81 87.45 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.772 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -36.65 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.866 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 393' ' ' LEU . 57.8 t -61.81 -48.37 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.168 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.52 -37.1 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.22 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -83.75 -13.36 54.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.201 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.6 t80 -44.57 130.3 6.8 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.878 0.371 . . . . 0.0 111.158 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.48 HG13 ' H ' ' A' ' 403' ' ' LYS . 6.0 p -45.51 -47.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.371 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.14 19.51 4.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.48 ' H ' HG13 ' A' ' 401' ' ' VAL . 3.5 ttmm -148.14 131.28 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 61.79 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.9 t -127.19 -31.21 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.58 161.54 19.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.474 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.3 mptp? -61.15 -20.81 63.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.4 -66.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.706 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.3 t80 -50.17 -40.67 47.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.8 m0 -53.82 -65.32 0.59 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.33 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.425 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 452' ' ' LEU . 11.8 mt -51.58 -71.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.34 -36.18 82.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -58.96 -65.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.701 ' HE2' HD11 ' A' ' 393' ' ' LEU . 27.3 mtp -58.56 -42.4 87.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.985 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 448' ' ' ILE . 18.2 tp -59.59 -52.29 66.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -57.59 -45.48 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.818 ' OE1' HG12 ' A' ' 386' ' ' VAL . 3.9 mm-40 -56.5 -37.47 70.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -61.74 -49.1 77.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.661 179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.96 -50.63 73.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.42 -30.01 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 386' ' ' VAL . 13.5 tp -64.08 -50.82 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.16 -22.03 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.643 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 24.0 p -89.9 38.15 0.91 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.504 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.608 HG21 HD11 ' A' ' 383' ' ' ILE . 7.9 p -86.77 155.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.979 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.7 OUTLIER -103.05 113.75 27.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 429' ' ' GLY . 3.4 t -126.68 -49.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 428' ' ' THR . . . 56.29 28.07 54.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.505 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 99.88 28.37 7.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 126.2 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.94 -37.55 74.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -69.08 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.4 -25.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -62.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.459 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.06 -43.07 96.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.545 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.618 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.65 -34.45 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 442' ' ' VAL . 22.2 ttt-85 -69.9 -56.66 6.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -52.96 -48.35 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.01 0.433 . . . . 0.0 110.377 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.08 -46.87 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 438' ' ' ARG . 38.6 t -58.63 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.1 m -62.84 -50.09 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -60.28 -62.06 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.045 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 420' ' ' LEU . 2.6 pp -48.23 -47.1 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.732 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.9 tt0 -68.29 -30.79 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 0.0 109.817 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.32 -51.33 45.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.5 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 416' ' ' LEU . 9.6 tt -62.84 -39.81 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.569 ' CD1' HD23 ' A' ' 416' ' ' LEU . 4.3 tp -63.51 -47.45 81.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -40.31 93.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -61.47 -48.35 81.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 412' ' ' LEU . 15.2 mt -61.26 -42.93 99.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.45 -38.3 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.85 -44.38 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -73.46 -34.59 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.425 HG22 ' NE2' ' A' ' 431' ' ' GLN . 1.5 m . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.438 0.161 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.28 109.89 1.08 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.44 2.093 . . . . 0.0 112.056 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -84.72 143.53 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.61 2.207 . . . . 0.0 112.814 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.9 m -89.71 7.5 36.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.946 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 383' ' ' ILE . 1.0 OUTLIER -37.8 -33.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 384' ' ' ILE . 23.5 tttp -46.62 -36.94 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -67.8 -54.08 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.043 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.941 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -58.64 -30.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 381' ' ' LYS . 26.3 mt -70.0 -53.29 24.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.321 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.52 -52.53 59.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.344 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 390' ' ' VAL . 35.4 m -61.7 -37.48 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.403 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 383' ' ' ILE . 0.7 OUTLIER -54.21 -51.37 64.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.298 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.99 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -48.08 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 386' ' ' VAL . 46.3 t -60.74 -41.62 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.343 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -54.27 -53.63 51.07 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.084 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.07 -44.27 82.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.786 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.3 OUTLIER -59.16 -43.29 92.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.6 ' CG ' HD12 ' A' ' 448' ' ' ILE . 24.7 mt-10 -56.7 -48.24 78.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.017 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.28 -45.49 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.051 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.96 -45.8 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 393' ' ' LEU . 28.2 t -54.27 -46.14 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.43 -40.87 98.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.368 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -80.3 -8.85 59.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.253 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 61.4 t80 -43.36 138.84 2.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 111.284 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -50.38 -47.22 26.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.556 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 137.4 -43.46 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.678 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.407 ' HB3' HG22 ' A' ' 405' ' ' THR . 0.8 OUTLIER -104.2 143.22 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.754 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 59.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 403' ' ' LYS . 10.9 t -134.51 -0.07 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -104.19 161.2 14.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.12 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.86 ' CE1' HD11 ' A' ' 452' ' ' LEU . 13.9 t80 -45.92 -39.01 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 29.5 m0 -60.47 -64.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.073 0.463 . . . . 0.0 110.067 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.8 pp -60.0 -25.38 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.545 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 411' ' ' LEU . 12.3 mt -62.96 -55.16 28.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.74 -50.12 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.548 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 411' ' ' LEU . 11.9 pt-20 -54.89 -47.7 73.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 393' ' ' LEU . 5.0 tpp -65.25 -44.36 88.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.704 ' HG ' HD22 ' A' ' 393' ' ' LEU . 33.9 mt -60.09 -49.22 78.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 p -58.98 -44.19 91.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.609 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -58.57 -46.34 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -50.56 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.78 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.66 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.93 -28.91 58.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' A' ' 441' ' ' ALA . 9.4 tp -65.39 -39.49 92.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.1 -7.99 52.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.504 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 38.09 1.09 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.669 0.271 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.5 p -113.09 155.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 426' ' ' VAL . 14.5 pt-20 -104.85 128.43 53.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 428' ' ' THR . 6.6 t -145.49 89.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -118.63 65.64 0.39 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 108.22 -26.44 16.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' GLN . . . . . 0.425 ' NE2' HG22 ' A' ' 376' ' ' THR . 15.5 mt-30 -59.14 108.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.17 -31.62 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 2.8 m -60.84 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.29 -28.61 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -60.69 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.359 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -58.11 -42.12 85.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.941 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.71 -38.0 89.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.67 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.4 tpt180 -60.86 -53.62 55.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -59.73 -47.16 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.54 -41.08 89.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.53 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 423' ' ' LEU . . . -62.22 -45.16 94.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.775 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 438' ' ' ARG . 33.5 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 5.5 t -62.35 -45.7 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -62.78 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.1 pp -48.37 -47.16 14.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.641 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -69.61 -32.13 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 179.056 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.24 -51.0 58.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.654 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 394' ' ' GLU . 15.7 tt -64.49 -39.36 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.777 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 445' ' ' ILE . 2.1 mp -61.42 -49.87 75.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.4 -40.21 95.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.627 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.86 HD11 ' CE1' ' A' ' 409' ' ' TYR . 2.7 tm? -64.99 -40.64 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.53 -41.8 95.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -33.94 62.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.48 25.1 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.478 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.715 0.293 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.5 106.53 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.645 2.23 . . . . 0.0 112.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -91.5 158.75 3.62 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.879 2.386 . . . . 0.0 112.768 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.591 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.3 OUTLIER -88.91 7.82 32.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.965 179.464 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.597 HG12 HD11 ' A' ' 384' ' ' ILE . 0.6 OUTLIER -38.09 -32.32 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -60.12 -48.57 81.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.42 . . . . 0.0 110.621 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -54.4 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.962 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.9 tp -56.56 -37.13 50.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.597 HD11 HG12 ' A' ' 380' ' ' ILE . 50.5 mt -64.6 -48.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.996 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -54.25 44.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.03 0.443 . . . . 0.0 110.409 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.81 HG23 ' HB2' ' A' ' 419' ' ' GLU . 7.2 p -59.73 -33.72 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.208 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 387' ' ' LEU . 0.3 OUTLIER -58.51 -51.09 71.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.04 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.438 ' HG2' ' CE2' ' A' ' 392' ' ' TYR . 0.8 OUTLIER -60.0 -45.85 91.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.867 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -44.29 78.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 386' ' ' VAL . 82.1 t -65.21 -33.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.059 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -53.73 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.835 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 392' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 388' ' ' GLU . 21.3 m-85 -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.678 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.772 HD11 ' CG ' ' A' ' 415' ' ' MET . 0.3 OUTLIER -61.05 -37.78 83.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.938 179.005 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 397' ' ' VAL . 2.4 mm-40 -60.58 -45.11 95.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.938 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -42.74 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.972 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.78 -59.22 5.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.502 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.4 p -52.4 -37.94 24.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 110.678 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -89.2 -1.94 58.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 67.4 t80 -43.34 135.11 3.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.799 0.333 . . . . 0.0 111.386 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.5 p -52.2 -44.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.503 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 134.16 -31.76 2.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.873 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -109.63 140.47 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 57.65 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.5 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.2 161.5 25.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -21.9 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.29 -62.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 452' ' ' LEU . 20.4 t80 -58.21 -30.76 66.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -65.12 0.7 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.303 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -26.38 68.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.378 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 452' ' ' LEU . 11.4 mt -57.41 -61.46 2.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.333 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.75 -44.89 88.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.33 -55.94 28.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.772 ' CG ' HD11 ' A' ' 393' ' ' LEU . 30.0 tpp -59.17 -38.92 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.814 HD21 HD13 ' A' ' 448' ' ' ILE . 16.8 mt -63.15 -44.88 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -44.62 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -59.55 -55.94 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 386' ' ' VAL . 24.0 pt-20 -56.52 -39.49 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.53 -52.66 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.31 -40.23 81.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.727 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.77 -43.15 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 423' ' ' LEU . 1.6 tt -65.97 -38.96 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.87 -24.59 9.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.279 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.4 m -95.59 38.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.222 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.591 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.9 p -84.15 136.25 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -108.3 72.34 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 429' ' ' GLY . 8.3 t -68.19 -47.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.36 40.18 93.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.35 64.28 3.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.547 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -126.0 136.29 52.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.58 -44.57 90.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p -59.04 -56.77 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.442 HG21 ' H ' ' A' ' 379' ' ' SER . 40.4 t -61.96 -31.94 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -61.2 -52.33 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.511 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.15 -50.34 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.28 -40.3 93.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.869 ' O ' HG23 ' A' ' 442' ' ' VAL . 64.5 ttt180 -60.53 -62.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.761 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -43.5 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.19 -53.35 58.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.962 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.27 -46.51 88.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.1 t -58.05 -39.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.9 OUTLIER -65.31 -45.4 84.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.366 179.444 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -62.64 -59.34 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.031 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.616 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -51.11 -48.5 30.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.822 0.344 . . . . 0.0 110.725 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.616 ' N ' HD12 ' A' ' 445' ' ' ILE . 6.1 tt0 -67.62 -31.54 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.02 -49.65 64.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.615 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.814 HD13 HD21 ' A' ' 416' ' ' LEU . 14.1 tt -64.42 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.555 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.568 HD12 HD13 ' A' ' 416' ' ' LEU . 1.0 OUTLIER -60.67 -55.34 34.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.36 -36.75 78.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -59.69 -46.2 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.793 HD11 HD13 ' A' ' 412' ' ' LEU . 8.4 mt -65.32 -45.77 82.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -60.56 -32.61 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.99 -48.3 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -67.01 -34.97 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.28 -1.289 . . . . 0.0 112.551 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.534 0.207 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.74 106.72 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.626 2.217 . . . . 0.0 112.148 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.08 96.82 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.597 2.198 . . . . 0.0 112.388 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 28.5 m -102.93 7.51 39.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.979 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 383' ' ' ILE . 0.7 OUTLIER -41.44 -31.5 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.815 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 384' ' ' ILE . 13.2 mtmt -45.74 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.957 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.1 OUTLIER -69.27 -54.54 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.021 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.894 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -60.98 -28.52 43.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 381' ' ' LYS . 21.1 mt -71.62 -55.38 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -55.85 -42.05 75.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.338 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 382' ' ' LYS . 32.2 t -66.39 -43.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.602 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' A' ' 440' ' ' GLU . 13.6 mt -54.42 -50.61 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 392' ' ' TYR . 0.1 OUTLIER -61.94 -51.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 179.61 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.51 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -57.11 -53.73 54.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.8 t -58.05 -33.21 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.42 -58.19 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.037 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 388' ' ' GLU . 7.7 m-85 -59.19 -47.94 83.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.881 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 415' ' ' MET . 0.2 OUTLIER -58.66 -35.92 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.242 179.353 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 397' ' ' VAL . 11.4 mt-10 -61.79 -53.32 57.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.02 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.22 -40.41 74.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.397 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 412' ' ' LEU . 33.8 m -52.06 -32.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.885 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.46 -34.66 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.66 2.48 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.494 ' CE1' HG12 ' A' ' 401' ' ' VAL . 59.4 t80 -45.19 147.16 0.77 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.494 HG12 ' CE1' ' A' ' 400' ' ' PHE . 3.1 p -47.36 -53.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.719 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 139.27 -33.26 2.18 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.772 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.73 129.62 55.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -68.82 62.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.7 t -135.79 -1.52 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -104.2 161.46 14.01 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.755 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.458 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.5 mptm? -60.1 -27.12 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.33 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.423 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.846 ' CE1' HD11 ' A' ' 452' ' ' LEU . 0.2 OUTLIER -47.65 -42.58 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 36.5 m0 -53.83 -64.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 0.0 110.407 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.719 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 397' ' ' VAL . 11.7 mt -58.25 -69.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.8 -43.29 98.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.93 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -53.75 -61.28 2.4 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 393' ' ' LEU . 14.9 tpp -57.91 -34.42 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.457 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.809 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -58.22 -56.64 19.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.6 p -58.25 -45.16 88.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -58.22 -45.5 87.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.719 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.9 -48.75 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.71 -44.01 90.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.21 -28.83 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 386' ' ' VAL . 12.3 tp -72.37 -41.32 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.04 -14.32 60.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.436 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.3 m -71.83 -17.15 62.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.487 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.49 HG21 HG13 ' A' ' 434' ' ' VAL . 14.4 p -54.56 155.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.798 0.332 . . . . 0.0 111.216 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 428' ' ' THR . 0.0 OUTLIER -67.1 -69.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.524 ' HB ' HG12 ' A' ' 434' ' ' VAL . 9.9 t 44.95 42.27 6.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.363 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.61 28.51 13.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 139.74 43.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.76 119.87 14.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.12 -39.0 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 t -61.71 -59.91 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' A' ' 428' ' ' THR . 22.0 t -57.53 -38.61 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.68 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.46 -48.55 78.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.323 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.894 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.09 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 442' ' ' VAL . 16.3 tpt180 -60.19 -55.16 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.436 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -60.23 -46.46 89.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.226 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' GLU . . . . . 0.78 ' OE2' HD21 ' A' ' 387' ' ' LEU . 7.6 tt0 -59.68 -41.52 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 423' ' ' LEU . . . -62.89 -42.27 99.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.667 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.2 t -63.43 -40.77 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -64.09 -44.98 90.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.386 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -62.89 -60.65 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -49.69 -48.49 20.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.606 ' N ' HD12 ' A' ' 445' ' ' ILE . 2.3 tp-100 -67.4 -34.27 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.117 0.484 . . . . 0.0 109.741 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -64.55 -51.91 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.406 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.809 HD13 HD21 ' A' ' 416' ' ' LEU . 11.8 tt -62.86 -36.23 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.802 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.4 OUTLIER -62.97 -45.91 90.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.434 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 453' ' ' GLU . 36.6 tt0 -65.62 -39.73 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -69.55 -35.92 75.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.846 HD11 ' CE1' ' A' ' 409' ' ' TYR . 0.9 OUTLIER -72.02 -42.15 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 450' ' ' GLU . 12.7 pt-20 -68.54 -43.88 75.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.38 73.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.754 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.37 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.538 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.856 HG21 ' CG2' ' A' ' 434' ' ' VAL . 12.6 t . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.539 ' HA ' HG22 ' A' ' 380' ' ' ILE . 49.1 Cg_exo -56.06 -45.95 34.65 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.854 2.369 . . . . 0.0 113.593 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 377' ' ' PRO . 53.7 Cg_endo -71.14 -21.09 27.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.113 1.875 . . . . 0.0 113.333 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.13 -27.83 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.648 0.261 . . . . 0.0 111.31 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 376' ' ' THR . 0.5 OUTLIER -75.13 -32.61 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -37.48 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.892 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -66.71 -59.17 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.997 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.597 ' HB ' ' HB1' ' A' ' 437' ' ' ALA . 1.8 pp -56.29 -41.5 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.193 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.556 HD11 ' CG1' ' A' ' 380' ' ' ILE . 76.6 mt -61.26 -51.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.306 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -56.11 -38.65 71.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.286 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.95 HG21 HD13 ' A' ' 423' ' ' LEU . 21.4 t -64.97 -42.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.94 -49.97 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -44.32 93.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.638 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -56.23 -46.28 79.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.412 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.779 HG11 ' CG ' ' A' ' 444' ' ' LYS . 56.0 t -63.95 -38.22 81.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.358 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -55.98 -58.67 6.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.948 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.42 -42.88 92.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.914 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 416' ' ' LEU . 0.4 OUTLIER -55.93 -62.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.198 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 448' ' ' ILE . 1.6 tm-20 -46.08 -44.7 15.73 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.469 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -46.19 77.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.955 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' GLU . . . . . 0.615 ' HB2' HD21 ' A' ' 412' ' ' LEU . 2.1 mt-10 -61.48 -37.01 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.636 HG13 ' HG ' ' A' ' 452' ' ' LEU . 61.5 t -59.73 -47.53 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.254 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.13 -42.26 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.318 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.15 -11.9 59.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.212 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -46.26 123.53 4.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.9 0.381 . . . . 0.0 111.252 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.1 p -45.49 -42.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.426 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.63 18.61 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.727 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.489 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.5 OUTLIER -148.14 147.98 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.443 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.1 tttm -84.94 54.12 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.0 m -127.17 -31.19 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.96 174.95 11.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.49 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -77.43 -16.47 58.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -50.44 -66.12 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.383 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 412' ' ' LEU . 0.7 OUTLIER -49.52 -41.24 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.302 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.49 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.9 m0 -54.46 -65.12 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 110.411 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 452' ' ' LEU . 18.4 mt -53.61 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 417' ' ' THR . 10.1 mt-10 -60.84 -44.68 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.16 -44.23 83.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.425 ' HB2' HD21 ' A' ' 393' ' ' LEU . 15.1 mtt -64.88 -55.63 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 448' ' ' ILE . 0.6 OUTLIER -59.15 -41.76 89.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.095 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 413' ' ' GLU . 23.2 p -59.85 -51.66 68.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.375 . . . . 0.0 110.579 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -55.75 -45.71 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 386' ' ' VAL . 5.7 tp10 -60.43 -38.53 84.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 1.101 HD11 HD13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -61.63 -51.63 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.24 -46.08 83.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.789 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.93 -27.59 62.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 386' ' ' VAL . 57.3 tp -65.31 -52.55 53.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.42 -21.75 27.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.38 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -20.22 61.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.448 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.2 p -56.6 131.79 20.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -107.35 82.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.1 t -64.99 -50.06 67.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 428' ' ' THR . . . 93.14 -26.96 12.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 140.2 44.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.406 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.55 137.8 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.794 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.57 -43.74 84.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 64.4 p -62.55 -55.73 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.856 ' CG2' HG21 ' A' ' 376' ' ' THR . 20.4 t -58.75 -39.52 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -50.79 72.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.57 -44.8 89.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.459 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 383' ' ' ILE . . . -61.07 -35.76 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.0 tpt180 -65.05 -54.84 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.527 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -59.24 -50.03 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.9 -36.09 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.95 86.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.8 t -61.62 -43.02 96.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.5 OUTLIER -64.71 -42.35 95.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.433 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.779 ' CG ' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -63.78 -60.52 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.024 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 1.101 HD13 HD11 ' A' ' 420' ' ' LEU . 2.5 pp -51.6 -45.32 35.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.698 ' N ' HD12 ' A' ' 445' ' ' ILE . 3.5 tp60 -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.748 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.28 -51.54 36.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.254 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.823 HD12 ' N ' ' A' ' 449' ' ' LEU . 2.8 pp -66.12 -44.87 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.562 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 448' ' ' ILE . 4.2 pp -66.77 -39.32 87.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.554 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.791 ' N ' HD12 ' A' ' 449' ' ' LEU . 0.6 OUTLIER -61.86 -48.51 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 109.952 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -37.67 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.158 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 412' ' ' LEU . 3.6 mt -59.15 -53.19 61.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -38.15 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -63.79 -37.26 86.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -85.63 -35.01 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.46 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.62 172.47 13.41 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.569 2.179 . . . . 0.0 112.238 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.48 70.27 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.57 2.18 . . . . 0.0 112.218 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.674 ' OG ' HG22 ' A' ' 426' ' ' VAL . 34.4 t -103.15 -28.64 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.77 ' O ' HG23 ' A' ' 384' ' ' ILE . 7.5 tt -71.16 -25.8 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.414 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -64.75 -37.48 87.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -50.62 38.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.9 HD13 ' CB ' ' A' ' 437' ' ' ALA . 1.1 pt -63.11 -36.64 76.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 380' ' ' ILE . 26.5 pt -71.69 -41.44 70.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.863 0.363 . . . . 0.0 110.246 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 385' ' ' HIS . . . . . 0.442 ' N ' HG13 ' A' ' 384' ' ' ILE . 2.2 m-70 -58.1 -47.94 81.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.847 HG23 ' HG2' ' A' ' 419' ' ' GLU . 7.1 p -65.94 -38.33 81.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.343 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 387' ' ' LEU . 13.7 mt -52.96 -57.19 11.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.951 0.405 . . . . 0.0 110.212 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.01 -42.71 98.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.038 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -45.7 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.24 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 386' ' ' VAL . 69.3 t -62.15 -40.75 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.232 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.32 -53.63 53.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 109.979 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.81 -44.69 86.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.797 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.5 OUTLIER -60.97 -35.81 77.75 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.837 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.5 tp10 -60.85 -47.21 87.42 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.779 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.41 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.98 178.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.464 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.3 p -51.19 -36.72 16.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.572 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.84 -44.37 96.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -87.98 -1.15 57.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 56.3 t80 -42.05 139.34 1.36 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.415 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.7 p -48.3 -47.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.445 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.03 -43.93 1.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.592 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.84 159.21 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 37.6 tttt -79.25 59.61 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.0 t -123.86 -31.18 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -83.85 156.33 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.005 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.1 OUTLIER -62.4 -19.38 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -48.04 -66.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.847 0.355 . . . . 0.0 111.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 452' ' ' LEU . 8.3 t80 -47.54 -37.84 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.374 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 47.7 m0 -58.43 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 110.486 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 0.9 OUTLIER -65.44 -26.39 67.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.926 HD13 HD21 ' A' ' 452' ' ' LEU . 11.6 mt -59.9 -67.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.255 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.8 tt0 -60.66 -41.77 95.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.852 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.31 -54.71 43.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.697 ' HG2' HD11 ' A' ' 393' ' ' LEU . 3.3 ttm -58.64 -40.28 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 449' ' ' LEU . 12.3 mt -59.54 -51.92 67.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.756 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 41.7 p -56.82 -48.23 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -56.44 -42.1 77.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.847 ' HG2' HG23 ' A' ' 386' ' ' VAL . 2.9 mt-10 -59.63 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.527 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.65 -48.37 69.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.14 -37.26 79.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.59 -41.96 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.714 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.866 ' O ' HG12 ' A' ' 426' ' ' VAL . 4.3 mm? -67.64 -38.67 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.068 0.461 . . . . 0.0 110.329 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 -19.33 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.349 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.5 m -94.39 -21.34 19.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.699 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 423' ' ' LEU . 9.8 p -53.02 144.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.774 0.321 . . . . 0.0 111.357 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.73 82.82 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.14 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -100.27 30.61 3.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.824 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -83.85 79.86 1.88 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.6 66.05 1.01 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 105.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.03 -33.94 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.598 HG11 ' OG ' ' A' ' 379' ' ' SER . 16.5 t -59.41 -34.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -52.37 65.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.395 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.9 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -61.2 -34.11 74.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.583 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -61.36 -55.06 35.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.289 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -45.05 86.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.209 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.95 -45.52 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.19 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.14 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.7 t -61.32 -39.61 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 57.3 m -65.39 -44.69 86.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.242 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.559 ' HB3' HG11 ' A' ' 390' ' ' VAL . 11.9 mttp -63.9 -59.81 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.815 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -51.07 -46.29 30.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.724 ' N ' HD12 ' A' ' 445' ' ' ILE . 61.2 tt0 -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.701 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.25 -54.06 24.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.415 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 416' ' ' LEU . 13.9 tt -60.37 -40.84 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 416' ' ' LEU . 0.9 OUTLIER -60.35 -49.63 76.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.501 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.64 -46.15 84.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.94 -37.96 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.926 HD21 HD13 ' A' ' 412' ' ' LEU . 8.6 mt -62.9 -51.83 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.2 79.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.65 47.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.38 -34.92 75.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.673 0.273 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.54 179.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.395 2.064 . . . . 0.0 112.139 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.09 57.75 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.829 2.353 . . . . 0.0 112.434 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.881 ' HB2' HG11 ' A' ' 434' ' ' VAL . 33.7 p -103.39 -45.05 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.989 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.605 ' HB ' HG22 ' A' ' 434' ' ' VAL . 1.5 tp -69.12 -45.4 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.256 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.479 ' N ' HG23 ' A' ' 380' ' ' ILE . 68.7 tttt -42.57 -53.77 4.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.687 ' O ' HG22 ' A' ' 386' ' ' VAL . 2.3 mtpt -63.31 -31.39 72.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.847 HD11 ' CA ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -71.24 -36.0 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.92 -45.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.358 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -52.55 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.591 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 1.061 HG21 HD12 ' A' ' 423' ' ' LEU . 27.5 m -59.62 -43.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 383' ' ' ILE . 0.8 OUTLIER -57.16 -49.89 74.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.886 0.374 . . . . 0.0 110.58 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -45.4 87.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.3 -42.37 77.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.3 t -65.66 -38.7 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.02 -56.32 23.56 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.291 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -56.12 -51.05 69.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.066 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 1.06 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -56.34 -41.73 76.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.084 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.76 -45.42 78.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.729 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.84 -46.25 88.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.7 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.9 -38.7 76.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.002 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.785 HG21 HG13 ' A' ' 448' ' ' ILE . 43.3 t -63.35 -43.68 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.371 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.67 -42.52 97.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.95 -14.16 54.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.164 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.2 t80 -48.44 122.86 5.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 110.666 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.9 p -42.13 -46.09 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.689 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.39 22.87 3.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.712 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.403 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.0 OUTLIER -148.16 142.31 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.019 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -82.16 56.34 3.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 3.6 t -121.6 -31.1 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.22 162.52 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.46 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -66.84 -17.48 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.303 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.03 -54.11 40.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.714 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.5 t80 -58.43 -37.58 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.46 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -58.77 -64.03 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.089 0.471 . . . . 0.0 110.103 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -58.79 -30.81 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.344 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 452' ' ' LEU . 14.2 mt -58.85 -65.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.806 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -61.78 -55.09 33.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.974 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 411' ' ' LEU . 2.8 pp20? -51.81 -43.92 63.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.616 0.246 . . . . 0.0 111.527 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.687 ' CG ' HD11 ' A' ' 393' ' ' LEU . 40.3 ttm -65.16 -45.11 86.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.06 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -60.96 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.0 p -59.74 -49.63 76.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -57.5 -46.1 84.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.63 81.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.848 ' HG ' HG21 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -59.13 -45.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.719 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.29 -45.3 88.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.44 -31.12 63.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 386' ' ' VAL . 5.5 tt -66.43 -39.07 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -58.74 -19.96 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.302 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 6.1 t -71.93 -20.54 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.392 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.9 p -56.93 139.34 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.808 0.337 . . . . 0.0 111.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.0 -74.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.647 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.859 HG23 HG12 ' A' ' 434' ' ' VAL . 0.7 OUTLIER 56.06 80.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -145.05 85.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 111.86 -40.3 2.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.2 113.55 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.85 -40.89 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 m -59.62 -55.0 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 379' ' ' SER . 38.2 t -59.97 -39.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.0 -48.29 80.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.45 -44.73 95.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.356 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.62 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -62.62 -47.17 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 442' ' ' VAL . 2.2 ttt180 -55.63 -56.97 14.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -48.08 69.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -48.05 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.562 ' HB2' ' HG ' ' A' ' 387' ' ' LEU . . . -60.91 -52.3 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.736 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 438' ' ' ARG . 40.3 t -53.53 -40.84 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 9.5 t -61.94 -52.47 63.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.248 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -58.65 -47.67 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.702 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.848 HG21 ' HG ' ' A' ' 420' ' ' LEU . 13.3 mt -55.43 -56.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 110.55 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.53 -32.57 73.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.858 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.58 -52.22 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.785 HG13 HG21 ' A' ' 397' ' ' VAL . 13.7 tt -63.89 -33.15 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -57.71 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 1.5 pt-20 -63.48 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -62.15 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -68.8 -42.18 77.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.93 82.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -31.9 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -99.42 25.12 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.494 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.677 0.275 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.93 106.29 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.691 2.261 . . . . 0.0 111.93 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.98 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.523 2.149 . . . . 0.0 112.759 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.723 ' CB ' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.978 179.531 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.3 tp -39.52 -32.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.952 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 384' ' ' ILE . 16.9 mmtt -48.29 -63.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -31.54 69.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.548 ' CG2' ' HB1' ' A' ' 437' ' ' ALA . 7.3 mm -65.61 -43.24 94.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 381' ' ' LYS . 5.8 mt -66.42 -41.74 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.59 -54.97 41.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 390' ' ' VAL . 33.4 m -59.71 -38.32 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.94 -53.26 58.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.09 -43.14 91.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.928 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -43.33 81.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.116 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.2 t -63.15 -41.71 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -55.25 -54.59 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.154 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.08 -42.63 81.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.86 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -61.75 -41.5 97.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.859 179.082 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.28 -49.8 73.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.08 -44.57 83.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.675 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.99 -36.97 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.925 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 393' ' ' LEU . 67.1 t -60.87 -48.54 88.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.205 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.74 -36.64 81.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.113 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -82.29 -13.07 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 68.8 t80 -41.93 137.98 1.64 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.6 p -48.48 -48.27 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.482 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.36 -41.47 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.803 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -106.52 151.06 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.019 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 11.1 tttt -78.92 58.45 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.6 t -123.1 -31.15 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.03 159.97 23.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -65.89 -15.6 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.356 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.19 -57.27 10.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.791 ' CE1' HD22 ' A' ' 452' ' ' LEU . 7.0 t80 -57.91 -36.51 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.4 m0 -57.08 -63.13 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.449 . . . . 0.0 110.137 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.62 -25.6 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.54 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 452' ' ' LEU . 10.0 mt -58.78 -67.29 0.38 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 417' ' ' THR . 0.7 OUTLIER -63.58 -42.24 98.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -56.55 17.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.494 ' HG2' HD11 ' A' ' 393' ' ' LEU . 13.7 ttm -60.6 -41.47 94.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.701 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -63.35 -43.78 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 413' ' ' GLU . 47.1 p -64.01 -40.19 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -58.52 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -57.28 -36.73 71.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 445' ' ' ILE . 1.8 mt -60.99 -53.74 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.72 -40.17 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.669 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.1 -32.55 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.719 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.88 ' O ' HG12 ' A' ' 426' ' ' VAL . 7.7 tp -72.92 -37.33 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.27 -13.66 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.485 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 8.2 m -71.9 -31.36 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.673 0.273 . . . . 0.0 111.155 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 423' ' ' LEU . 14.7 p -57.26 155.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -132.45 -64.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.629 ' OG1' HG21 ' A' ' 434' ' ' VAL . 86.2 m 64.76 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 123.62 -73.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -148.4 25.66 1.38 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.647 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 428' ' ' THR . 3.2 tp60 -81.05 127.82 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.47 -25.38 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 99.1 p -62.25 -69.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 438' ' ' ARG . 71.5 t -64.99 -26.66 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -60.82 -56.71 17.9 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -46.85 86.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.134 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.548 ' HB1' ' CG2' ' A' ' 383' ' ' ILE . . . -60.81 -32.32 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG12 ' A' ' 434' ' ' VAL . 0.9 OUTLIER -66.69 -62.34 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.498 179.581 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 1.6 mmtt -52.7 -38.48 60.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.458 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.38 -43.52 94.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.11 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -66.03 -56.01 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.716 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 17.1 m -50.36 -43.76 22.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.451 ' N ' HG23 ' A' ' 442' ' ' VAL . 1.7 m -64.71 -47.65 77.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 390' ' ' VAL . 13.4 tttp -62.91 -57.36 11.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.775 HD13 HD21 ' A' ' 420' ' ' LEU . 2.5 pp -52.05 -47.86 42.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.804 0.335 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.713 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -68.83 -32.97 73.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.19 -52.63 46.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.628 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.793 HG13 HG21 ' A' ' 397' ' ' VAL . 19.3 tt -63.43 -37.77 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.733 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 416' ' ' LEU . 1.7 mp -60.68 -55.43 33.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.625 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 22.9 pt-20 -60.91 -37.55 82.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -59.44 -47.29 86.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.71 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 412' ' ' LEU . 8.2 mt -67.89 -37.27 81.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.738 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -43.3 98.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.17 -35.26 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -34.76 64.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.4 ' OG1' ' HD2' ' A' ' 377' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.682 0.277 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.45 ' HB3' ' HD2' ' A' ' 378' ' ' PRO . 62.1 Cg_exo -51.57 -173.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.276 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 377' ' ' PRO . 95.0 Cg_endo -81.94 40.71 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.499 2.133 . . . . 0.0 113.051 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.651 ' OG ' HG11 ' A' ' 434' ' ' VAL . 3.3 t -103.41 -38.9 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.424 . . . . 0.0 110.565 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 380' ' ' ILE . 0.1 OUTLIER -76.66 -36.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.233 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 384' ' ' ILE . 11.1 ptmt -57.84 -35.42 70.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.694 ' O ' HG22 ' A' ' 386' ' ' VAL . 7.1 mtpp -70.09 -48.77 56.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.921 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.0 tp -67.82 -38.43 80.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.593 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 385' ' ' HIS . 20.2 tt -68.35 -45.17 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 0.0 110.571 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 385' ' ' HIS . . . . . 0.489 ' N ' HG23 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -60.11 -56.24 24.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.232 179.391 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 423' ' ' LEU . 27.8 m -59.05 -35.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.345 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.92 -48.64 80.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.96 -48.49 81.34 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.7 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.1 t -60.1 -37.11 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.374 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.31 -55.87 29.18 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.71 -42.9 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.703 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.2 OUTLIER -62.17 -36.9 83.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.977 178.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 448' ' ' ILE . 36.3 tt0 -60.68 -46.8 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.043 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.98 -42.12 98.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.114 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.12 -57.82 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.728 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.935 HG12 HD13 ' A' ' 412' ' ' LEU . 33.4 m -54.39 -36.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.38 -37.43 80.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.348 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.2 -5.68 57.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.303 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.756 ' HE1' ' HB3' ' A' ' 408' ' ' ALA . 73.7 t80 -47.18 145.23 2.33 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 402' ' ' GLY . 4.2 p -45.33 -51.75 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.733 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 121.0 23.59 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.79 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.412 ' H ' HG13 ' A' ' 401' ' ' VAL . 18.5 mtmt -148.1 142.23 26.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -84.77 55.85 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 6.6 t -122.7 -30.98 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.59 162.39 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.009 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.448 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -74.72 -19.37 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.756 ' HB3' ' HE1' ' A' ' 400' ' ' PHE . . . -52.36 -57.75 8.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.0 t80 -51.9 -39.1 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.6 m0 -58.0 -60.57 3.52 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.055 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -65.13 -25.55 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.622 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.935 HD13 HG12 ' A' ' 397' ' ' VAL . 11.6 mt -59.98 -67.6 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.068 0.461 . . . . 0.0 110.17 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.14 -44.58 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.47 -55.99 25.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.703 ' HG2' HD11 ' A' ' 393' ' ' LEU . 14.0 tpp -56.23 -45.9 79.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 390' ' ' VAL . 12.2 tp -60.28 -42.43 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 20.5 m -58.49 -49.35 77.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -58.45 -48.66 80.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.17 -39.88 76.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.736 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.684 HD11 HD13 ' A' ' 445' ' ' ILE . 1.3 tt -62.81 -52.72 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.39 -31.85 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.73 -54.86 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 386' ' ' VAL . 1.4 pp -64.9 -26.78 68.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -55.46 -22.48 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.1 m -94.88 38.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 111.292 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.576 HG23 ' HA ' ' A' ' 379' ' ' SER . 12.6 p -92.9 142.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.7 68.39 1.54 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 111.028 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.6 t -62.05 -49.72 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 428' ' ' THR . . . 69.67 -65.78 0.62 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.499 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 177.85 52.63 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.412 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -107.02 133.79 51.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.36 -46.3 89.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -53.29 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.651 HG11 ' OG ' ' A' ' 379' ' ' SER . 30.7 t -58.81 -39.8 78.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -47.6 85.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -59.98 -56.16 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.25 -31.73 69.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.602 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 442' ' ' VAL . 12.3 tpt180 -62.12 -58.67 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.92 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.609 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.74 -54.24 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.921 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -57.35 -48.66 78.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.4 t -59.86 -34.36 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.555 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 7.4 m -65.88 -44.89 83.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.173 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.867 ' O ' HD12 ' A' ' 448' ' ' ILE . 0.2 OUTLIER -61.09 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.735 179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.684 HD13 HD11 ' A' ' 420' ' ' LEU . 1.8 pp -51.11 -48.98 30.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 445' ' ' ILE . 7.1 tt0 -67.46 -25.31 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.148 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -72.87 -36.68 67.42 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.849 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 0.867 HD12 ' O ' ' A' ' 444' ' ' LYS . 1.7 mp -70.47 -46.49 70.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.0 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 416' ' ' LEU . 4.6 mp -59.68 -50.58 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.36 -51.66 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.663 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -38.78 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.656 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.7 mt -66.79 -36.07 81.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -39.78 77.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.37 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -86.51 -32.62 20.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.6 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 376' ' ' THR . . . . . 0.648 HG22 ' OG ' ' A' ' 379' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 377' ' ' PRO . . . . . 0.568 ' N ' ' HD2' ' A' ' 378' ' ' PRO . 50.1 Cg_exo -53.34 -47.76 25.66 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.823 2.348 . . . . 0.0 113.213 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 377' ' ' PRO . 40.5 Cg_endo -68.15 -21.92 41.62 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.078 1.852 . . . . 0.0 112.772 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.681 ' HB3' HG21 ' A' ' 434' ' ' VAL . 7.5 m -93.91 -27.36 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 3.3 tt -94.3 -36.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.337 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -56.34 -40.35 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.727 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.8 OUTLIER -62.26 -56.75 15.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.044 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 383' ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 437' ' ' ALA . 33.9 pt -55.17 -37.6 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 37.0 mt -63.35 -50.24 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.533 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.34 -54.14 47.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.602 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 423' ' ' LEU . 25.4 m -59.42 -34.42 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -50.12 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -44.51 96.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.235 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -54.46 45.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 390' ' ' VAL . . . . . 0.84 HG11 ' HB3' ' A' ' 444' ' ' LYS . 74.0 t -61.24 -32.65 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.441 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.09 -55.63 32.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.86 -40.23 83.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.638 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' LEU . . . . . 0.512 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -60.77 -47.15 87.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.048 179.131 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 394' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 448' ' ' ILE . 21.6 tt0 -56.17 -43.37 78.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.131 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.01 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' GLU . . . . . 0.467 ' HB2' HD21 ' A' ' 412' ' ' LEU . 1.8 mt-10 -60.17 -56.66 18.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 412' ' ' LEU . 17.9 m -54.9 -38.93 46.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.843 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.38 -45.34 94.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.15 -4.3 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.321 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' PHE . . . . . 0.482 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 85.9 t80 -47.1 123.59 5.53 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 401' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -45.15 -45.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.516 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.486 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 118.23 20.7 4.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 401' ' ' VAL . 1.6 ptpp? -148.19 148.34 30.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 7.5 tmtt? -84.85 55.1 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.4 m -123.31 -31.18 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.36 167.12 16.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.444 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -70.72 -17.8 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 408' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.877 0.37 . . . . 0.0 111.245 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 412' ' ' LEU . 2.5 t80 -50.93 -39.16 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.3 m0 -56.91 -65.19 0.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.939 0.399 . . . . 0.0 110.303 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.02 -28.29 69.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.916 HD13 HD21 ' A' ' 452' ' ' LEU . 24.0 mt -58.27 -70.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.7 -59.24 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 42.0 tpp -56.84 -36.18 69.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 448' ' ' ILE . 0.3 OUTLIER -58.75 -55.73 31.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 7.5 p -58.66 -45.88 88.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.5 -50.53 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.6 -41.44 90.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -52.09 67.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.39 -38.81 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -69.97 -38.08 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 386' ' ' VAL . 7.3 tt -67.89 -37.38 81.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.09 -21.19 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 3.1 m -94.85 37.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.299 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 382' ' ' LYS . 13.4 p -104.33 119.99 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -67.03 141.08 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.54 ' HB ' HG11 ' A' ' 434' ' ' VAL . 3.1 t -162.37 88.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.36 73.96 1.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.417 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 77.54 38.18 29.0 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 123.02 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.76 -43.35 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -66.16 -43.65 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' VAL . . . . . 0.681 HG21 ' HB3' ' A' ' 379' ' ' SER . 21.6 t -67.48 -41.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.45 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -52.3 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -59.47 -34.78 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 442' ' ' VAL . 6.8 ttt180 -61.04 -56.6 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 31.5 mmtt -59.87 -34.37 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.429 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.43 -44.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.459 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.03 -55.7 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.696 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.3 m -51.13 -42.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 41.8 m -67.21 -41.04 86.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.84 ' HB3' HG11 ' A' ' 390' ' ' VAL . 1.9 tttt -67.21 -54.26 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' A' ' 416' ' ' LEU . 1.9 pp -54.82 -51.1 55.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.809 0.337 . . . . 0.0 110.689 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.635 ' N ' HD12 ' A' ' 445' ' ' ILE . 4.7 pp0? -66.92 -28.17 68.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 110.059 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -62.99 -60.52 3.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.728 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 416' ' ' LEU . 1.1 pt -65.68 -30.65 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.745 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' LEU . . . . . 0.552 HD12 ' HG ' ' A' ' 416' ' ' LEU . 7.5 tt -64.67 -52.59 56.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.02 0.438 . . . . 0.0 110.261 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.93 97.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.317 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -38.05 79.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.4 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.916 HD21 HD13 ' A' ' 412' ' ' LEU . 8.1 mt -65.61 -48.79 71.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.738 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.06 -39.66 82.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -36.77 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -78.03 -34.52 50.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.605 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.582 0.23 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 383' ' ' ILE . 2.2 tp -37.59 -32.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 384' ' ' ILE . 12.1 tttt -52.35 -38.46 58.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -57.76 6.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.299 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 1.041 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.2 pp -55.84 -32.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.812 0.339 . . . . 0.0 111.022 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.498 HD11 ' CG1' ' A' ' 380' ' ' ILE . 30.0 mt -67.72 -50.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -56.19 -54.43 45.24 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.778 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.6 m -59.8 -35.66 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.462 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 383' ' ' ILE . 8.3 mt -58.05 -50.21 74.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.057 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.47 -45.09 94.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.948 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -45.92 84.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 386' ' ' VAL . 57.9 t -63.03 -34.75 68.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.294 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.53 -54.46 45.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -56.09 -45.52 79.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.853 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.943 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 397' ' ' VAL . 6.1 tt0 -57.33 -49.57 75.7 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.747 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.566 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.32 -55.78 24.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.4 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.77 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.8 m -56.11 -36.92 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -41.63 98.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.979 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.86 -4.8 58.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.8 t80 -41.08 127.36 2.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.828 0.346 . . . . 0.0 111.282 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.1 p -43.86 -45.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.488 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.49 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 115.72 25.45 3.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.622 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.17 124.35 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CG ' ' CD2' ' A' ' 409' ' ' TYR . 7.0 ttpt -61.74 -15.64 42.6 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.6 p -72.7 -21.68 61.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.05 147.2 45.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 9.6 tttp -62.6 -25.95 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.79 -50.97 62.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.728 ' HA ' HD12 ' A' ' 412' ' ' LEU . 9.5 t80 -59.11 -38.55 79.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 48.9 m0 -58.05 -61.26 2.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.151 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.2 pp -63.94 -27.56 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.921 HD23 HD23 ' A' ' 393' ' ' LEU . 11.6 mt -58.84 -68.37 0.27 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.12 -38.07 87.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 37.2 tpp -59.1 -38.83 80.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -63.35 -46.06 88.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.735 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.1 m -60.08 -50.19 74.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 386' ' ' VAL . 4.2 tp10 -58.8 -43.67 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.673 ' CD1' HD13 ' A' ' 445' ' ' ILE . 1.2 tt -61.69 -50.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.32 -31.51 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.689 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.5 pp -59.34 -29.49 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.35 -22.82 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 5.1 m -96.05 37.96 1.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 379' ' ' SER . 8.0 p -87.1 141.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -108.3 105.68 15.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.1 t -98.36 -47.32 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 428' ' ' THR . . . 55.08 26.94 43.98 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 102.25 58.43 0.78 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.585 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -124.9 121.15 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.66 -44.25 93.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -56.49 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.65 -35.09 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -59.98 -58.6 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.68 -47.56 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -63.1 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -59.35 -57.59 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.689 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -47.58 81.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.9 -42.28 89.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.38 77.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 438' ' ' ARG . 15.5 t -60.23 -39.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.6 OUTLIER -62.23 -47.37 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -61.99 -62.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.673 HD13 ' CD1' ' A' ' 420' ' ' LEU . 1.9 pp -48.5 -48.1 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.82 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.58 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.1 tt0 -68.59 -30.24 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.032 0.444 . . . . 0.0 109.93 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -68.73 -49.53 58.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.621 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 416' ' ' LEU . 14.7 tt -64.66 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.841 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 416' ' ' LEU . 1.2 tp -63.19 -49.07 75.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.586 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -43.08 96.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -60.31 -44.16 95.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.16 -42.73 86.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -66.25 -36.23 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -97.26 25.05 5.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.47 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.699 ' HB2' HG21 ' A' ' 434' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.633 0.254 . . . . 0.0 111.386 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.505 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.9 OUTLIER -80.71 -43.24 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 0.0 111.338 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -57.39 -40.11 77.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.042 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -63.3 -55.96 20.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 437' ' ' ALA . 46.7 pt -57.26 -36.25 51.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 380' ' ' ILE . 33.2 mt -65.8 -48.37 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.463 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -56.88 -53.02 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.863 HG21 HD12 ' A' ' 423' ' ' LEU . 23.1 m -58.75 -39.24 76.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.744 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 387' ' ' LEU . 14.0 mt -56.97 -54.43 46.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -42.47 83.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -47.33 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 444' ' ' LYS . 49.0 t -61.98 -39.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.55 -55.63 29.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.1 -38.82 77.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.759 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 397' ' ' VAL . 5.5 mt -63.59 -44.41 94.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.043 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.28 -49.71 71.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.993 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.81 -42.32 88.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.729 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.25 -35.8 80.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.083 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 393' ' ' LEU . 39.9 t -64.89 -47.33 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.307 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.95 -38.31 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.21 -16.9 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.483 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 86.8 t80 -47.59 122.58 4.94 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.7 p -45.76 -43.08 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.39 18.3 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.711 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.485 ' H ' HG13 ' A' ' 401' ' ' VAL . 8.3 mmmm -148.1 158.88 44.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.338 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.2 ttmm -90.55 47.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.1 m -116.36 -30.97 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -85.33 168.79 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -74.88 -15.2 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.64 -56.92 10.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 412' ' ' LEU . 4.2 t80 -56.67 -38.92 72.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -56.49 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -60.91 -30.17 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 1.004 HD13 HD11 ' A' ' 452' ' ' LEU . 13.4 mt -56.36 -70.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.641 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.46 -31.57 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -68.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.802 ' HG3' HD11 ' A' ' 393' ' ' LEU . 12.3 ptp -62.2 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.694 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.866 HD13 HD12 ' A' ' 449' ' ' LEU . 13.9 mt -59.6 -57.53 12.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.581 ' HA ' HD21 ' A' ' 420' ' ' LEU . 26.8 m -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -42.25 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.528 ' HG2' HG12 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -60.34 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 421' ' ' LEU . 3.1 pp -56.62 -39.48 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 420' ' ' LEU . 32.2 tp -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.641 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.863 HD12 HG21 ' A' ' 386' ' ' VAL . 6.6 tt -61.98 -46.37 89.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.805 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -55.51 -21.77 18.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.218 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 58.0 m -94.8 25.75 3.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.353 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.783 HG23 ' HB2' ' A' ' 382' ' ' LYS . 11.7 p -82.01 124.71 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.84 74.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 m -98.08 83.05 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.28 -67.23 2.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.579 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -162.41 47.31 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 434' ' ' VAL . 5.5 tp60 -97.85 126.74 43.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.46 -44.58 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -49.73 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 379' ' ' SER . 22.7 t -62.97 -35.07 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.52 26.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.07 -42.11 84.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.341 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -64.89 -34.63 78.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.8 ttt-85 -63.56 -56.17 18.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.434 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 9.5 ttpt -60.2 -35.93 76.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.342 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.66 -42.77 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.86 -58.14 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 11.3 m -47.6 -44.59 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.936 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -65.89 -42.83 89.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.177 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.658 ' HG2' HG11 ' A' ' 390' ' ' VAL . 3.7 tttt -65.38 -58.17 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.868 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.5 pp -51.56 -46.64 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.572 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.726 ' N ' HD12 ' A' ' 445' ' ' ILE . 13.7 tp60 -68.93 -33.5 73.84 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.92 -51.34 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.548 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 397' ' ' VAL . 15.5 tt -63.45 -38.16 81.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.561 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.866 HD12 HD13 ' A' ' 416' ' ' LEU . 1.2 mp -61.17 -50.66 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.454 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.66 -43.69 97.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -58.75 -43.18 90.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -64.16 -46.25 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.96 -40.85 85.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -68.57 -41.25 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -73.65 -35.01 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.452 -1.194 . . . . 0.0 112.561 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.441 ' CB ' HG23 ' A' ' 426' ' ' VAL . 22.9 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.584 0.231 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.84 ' CD1' HD11 ' A' ' 383' ' ' ILE . 0.5 OUTLIER -41.43 -32.87 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.846 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -48.8 -31.83 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 386' ' ' VAL . 4.9 mmtp -67.25 -54.76 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.817 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 380' ' ' ILE . 5.6 pt -59.67 -30.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 381' ' ' LYS . 18.6 mt -70.58 -51.58 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.96 -51.76 67.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 423' ' ' LEU . 10.5 p -61.92 -41.01 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 386' ' ' VAL . 9.2 mt -53.65 -54.49 37.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.649 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.06 -47.09 87.33 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.361 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -46.1 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.0 t -60.4 -40.35 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.361 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.47 -52.15 66.55 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.092 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.849 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.6 OUTLIER -62.46 -41.12 98.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 179.137 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.92 -50.52 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.955 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.4 -42.45 82.25 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.872 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . 0.496 ' HG3' HD21 ' A' ' 412' ' ' LEU . 8.8 tp10 -62.54 -37.64 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.99 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 393' ' ' LEU . 51.8 t -61.41 -47.7 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.342 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.33 -37.16 86.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.383 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.81 -12.71 57.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.208 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 57.9 t80 -43.56 138.9 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.876 0.37 . . . . 0.0 111.18 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.2 p -49.82 -47.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.483 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.25 -44.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.711 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -108.45 157.2 18.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -76.68 60.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 4.8 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.71 155.27 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 11.3 tttt -62.6 -18.45 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.79 -61.64 2.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.373 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.63 ' CE1' HD22 ' A' ' 452' ' ' LEU . 2.6 t80 -49.87 -39.75 40.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.6 m0 -57.74 -63.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.162 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -62.53 -25.64 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 452' ' ' LEU . 11.1 mt -59.6 -65.39 0.68 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 416' ' ' LEU . 5.7 pt-20 -63.88 -36.39 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.908 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 413' ' ' GLU . 3.7 tt0 -60.2 -57.36 13.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.401 ' HB3' HD11 ' A' ' 393' ' ' LEU . 4.0 tpp -59.68 -39.66 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 449' ' ' LEU . 14.5 mt -60.23 -50.88 71.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 22.3 p -58.67 -46.76 86.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -51.33 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 386' ' ' VAL . 1.1 tp10 -58.58 -41.16 85.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.43 -51.36 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.66 -32.22 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.35 -58.06 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 386' ' ' VAL . 2.9 pp -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.59 -20.93 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.266 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 25.0 p -93.72 38.02 1.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.757 0.313 . . . . 0.0 111.337 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.441 HG23 ' CB ' ' A' ' 379' ' ' SER . 12.3 p -101.25 136.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.074 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.16 116.84 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.496 HG21 ' HD3' ' A' ' 438' ' ' ARG . 10.0 t -136.79 31.38 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.06 49.79 3.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 138.43 44.82 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -155.28 109.5 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.27 -31.17 67.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -62.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 426' ' ' VAL . 25.2 t -59.87 -32.13 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -59.31 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.553 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.04 83.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.833 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -63.97 -36.39 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.758 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.6 OUTLIER -60.59 -54.58 43.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.504 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -59.95 -42.89 95.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.1 -46.17 91.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.502 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.77 93.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 438' ' ' ARG . 27.3 t -63.5 -41.34 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.4 t -63.14 -45.25 92.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.501 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -62.52 -60.96 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 446' ' ' GLN . 1.9 pp -49.34 -48.4 18.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.595 ' N ' HD12 ' A' ' 445' ' ' ILE . 5.1 mt-30 -68.32 -31.96 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.875 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.74 -53.97 33.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.592 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 416' ' ' LEU . 13.4 tt -62.15 -39.02 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.561 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 416' ' ' LEU . 1.3 mp -58.92 -56.49 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.38 -35.06 74.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.09 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 412' ' ' LEU . 11.2 mt -67.8 -40.67 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.759 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -38.6 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -76.58 -37.07 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 25.06 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.449 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.799 ' OG ' HG21 ' A' ' 434' ' ' VAL . 6.2 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.574 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.8 OUTLIER -75.08 -36.99 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.311 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -42.02 81.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -64.07 -55.08 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.6 tp -58.38 -36.51 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.174 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.574 HD11 ' CG1' ' A' ' 380' ' ' ILE . 49.7 mt -64.88 -47.62 87.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.398 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -56.98 -54.16 49.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.445 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 423' ' ' LEU . 24.2 m -58.89 -35.31 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.52 -49.51 77.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.109 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.98 -44.32 91.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.993 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.403 ' HD2' ' CG ' ' A' ' 415' ' ' MET . 0.6 OUTLIER -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.065 179.055 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.1 t -63.6 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -56.85 -51.71 67.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.837 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.3 -45.45 84.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.659 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -61.71 -36.09 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 397' ' ' VAL . 1.2 tm-20 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.025 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.37 -42.55 99.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.9 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.37 -58.39 8.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.509 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.684 HG12 HD13 ' A' ' 412' ' ' LEU . 34.9 m -52.67 -36.93 23.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.622 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.27 -44.62 94.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -84.34 -4.57 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.936 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 84.6 t80 -41.2 136.38 1.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.374 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 402' ' ' GLY . 3.8 p -45.82 -51.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.628 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.73 -35.07 2.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.667 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 154.06 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.416 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 9.6 tttm -82.14 55.97 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -8.8 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -104.04 155.2 18.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.733 0.302 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.431 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.9 OUTLIER -60.91 -19.35 60.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.26 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.22 -62.54 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.385 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.698 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.5 t80 -52.37 -36.1 52.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.6 m0 -58.67 -63.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.272 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 1.1 pp -63.16 -27.21 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.2 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 393' ' ' LEU . 12.4 mt -57.46 -71.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.365 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' A' ' 416' ' ' LEU . 10.8 mm-40 -59.01 -42.15 89.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.947 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.77 -55.73 28.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 393' ' ' LEU . 33.1 tpp -58.18 -39.72 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.652 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 413' ' ' GLU . 15.7 mt -59.6 -53.49 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -46.58 80.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -46.74 84.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -45.75 89.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.6 ' HG ' HG21 ' A' ' 445' ' ' ILE . 12.8 mt -58.17 -53.4 58.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.88 -30.86 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.17 -60.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.796 ' HB3' HG11 ' A' ' 386' ' ' VAL . 2.8 pp -59.76 -29.39 68.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.017 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.26 -22.28 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.5 m -95.89 38.2 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.178 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.3 p -89.82 147.35 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -114.84 79.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.4 t -73.56 -47.98 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.448 ' N ' HG23 ' A' ' 428' ' ' THR . . . 53.54 24.37 23.89 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.572 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 103.72 98.83 2.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -165.56 122.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -45.67 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -55.38 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.799 HG21 ' OG ' ' A' ' 379' ' ' SER . 35.7 t -58.14 -41.71 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -45.34 91.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.63 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.94 -53.41 57.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.452 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.47 -34.01 72.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.597 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 442' ' ' VAL . 1.7 ttt85 -62.43 -62.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -44.82 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.996 0.427 . . . . 0.0 110.831 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.88 -53.02 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.57 -47.19 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 438' ' ' ARG . 43.4 t -55.17 -41.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.3 m -63.51 -50.25 70.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.269 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -57.28 -48.88 77.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 442' ' ' VAL . 9.2 mt -55.49 -52.57 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.55 -28.34 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.931 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -70.53 -47.28 61.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.734 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 445' ' ' ILE . 11.0 tt -66.54 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.3 mp -65.63 -54.74 23.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.589 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.45 -41.5 85.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.94 -46.55 89.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.698 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.0 mt -59.89 -47.15 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.93 -42.48 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -52.91 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.768 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -67.49 -35.04 78.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.565 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 434' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 1.0 OUTLIER -97.99 -46.71 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.33 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 380' ' ' ILE . 6.1 tttm -47.29 -32.77 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -66.95 -60.48 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.971 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.5 tp -57.39 -35.31 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.034 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 45.6 mt -65.25 -47.92 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 381' ' ' LYS . 57.5 m170 -56.53 -53.72 54.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.336 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 390' ' ' VAL . 22.7 m -59.43 -34.9 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -51.6 69.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.124 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -45.37 90.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.949 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.81 -40.88 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.035 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 386' ' ' VAL . 58.0 t -64.35 -39.89 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -52.54 65.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.02 -45.43 83.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.771 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.673 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.61 -34.38 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.819 178.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.469 ' O ' HG12 ' A' ' 397' ' ' VAL . 10.9 tt0 -60.08 -49.2 78.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.877 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -39.53 92.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.775 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.0 -56.58 19.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.491 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.737 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.2 p -56.72 -35.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.399 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.048 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.26 -4.9 58.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.176 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 48.2 t80 -41.98 142.09 0.76 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.916 0.389 . . . . 0.0 111.334 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 402' ' ' GLY . 5.5 p -49.83 -48.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.478 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.76 -39.45 1.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.574 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -111.42 142.68 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 62.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.91 -31.16 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.61 158.55 24.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -57.54 -23.18 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.29 -64.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.227 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.746 ' CE1' HD23 ' A' ' 452' ' ' LEU . 23.6 t80 -47.59 -39.56 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.2 m0 -57.72 -64.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.315 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.1 pp -62.96 -25.15 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.627 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 452' ' ' LEU . 13.2 mt -59.57 -67.89 0.34 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.064 0.459 . . . . 0.0 110.49 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.3 tt0 -63.05 -38.49 91.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.27 -54.98 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.435 ' HB3' HD11 ' A' ' 393' ' ' LEU . 17.5 tpp -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.694 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 393' ' ' LEU . 10.2 mt -58.82 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.0 p -59.98 -43.53 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -57.79 -55.26 37.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.829 ' OE2' HG22 ' A' ' 390' ' ' VAL . 18.6 pt-20 -59.17 -36.83 75.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.683 HD23 ' OD2' ' A' ' 424' ' ' ASP . 1.0 OUTLIER -60.02 -53.36 58.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.21 -33.94 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.07 -60.29 4.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.757 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.9 pp -64.71 -31.56 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.683 ' OD2' HD23 ' A' ' 420' ' ' LEU . 19.5 m-20 -54.26 -24.97 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.99 37.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.31 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -96.13 97.21 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.893 ' OG1' HG11 ' A' ' 434' ' ' VAL . 46.2 m -135.92 97.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.66 28.58 12.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 145.55 61.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.584 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -132.89 116.47 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.38 -42.46 98.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . 0.493 ' CB ' HD13 ' A' ' 380' ' ' ILE . 0.7 OUTLIER -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.893 HG11 ' OG1' ' A' ' 428' ' ' THR . 38.4 t -58.92 -38.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -53.54 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -58.23 -54.07 51.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.724 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.764 ' O ' HG13 ' A' ' 442' ' ' VAL . 16.2 ttt85 -62.47 -55.67 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -60.93 -37.37 82.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.344 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.31 -47.34 70.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.988 0.423 . . . . 0.0 110.114 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.971 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -67.14 -51.67 51.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 438' ' ' ARG . 26.3 m -53.4 -44.99 56.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.496 ' N ' HG23 ' A' ' 442' ' ' VAL . 49.8 t -63.41 -45.76 89.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -56.73 15.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.6 pt -52.63 -44.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.475 ' N ' HG13 ' A' ' 445' ' ' ILE . 28.5 mm-40 -71.13 -31.75 68.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.202 0.525 . . . . 0.0 109.813 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.32 69.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.508 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 416' ' ' LEU . 16.1 tt -67.95 -38.53 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.734 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.4 mp -61.88 -50.79 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.6 -42.42 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.683 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -60.37 -39.12 86.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.837 HD11 HD13 ' A' ' 412' ' ' LEU . 0.2 OUTLIER -72.29 -45.55 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -30.38 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -55.08 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -34.92 78.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 434' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 111.131 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.54 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.7 OUTLIER -65.91 -45.24 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 0.0 111.514 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.0 OUTLIER -55.19 -40.3 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.199 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.665 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -64.23 -55.58 20.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 434' ' ' VAL . 35.5 pt -56.28 -35.69 43.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.54 HD11 ' CG1' ' A' ' 380' ' ' ILE . 26.1 mt -66.66 -52.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.7 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -57.21 -56.08 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 423' ' ' LEU . 30.1 m -57.98 -37.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.79 -52.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.22 -44.75 92.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.447 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -56.43 -46.32 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.538 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 386' ' ' VAL . 99.1 t -63.78 -38.27 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.2 -54.29 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 110.059 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.07 -44.58 87.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.94 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.693 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -61.5 -38.18 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.165 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG12 ' A' ' 397' ' ' VAL . 8.5 mt-10 -60.05 -47.82 84.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.066 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -60.87 -44.28 97.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.223 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.39 -57.76 11.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 452' ' ' LEU . 9.7 p -54.4 -36.13 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.705 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -41.56 98.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.377 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.36 -2.43 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.25 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 92.4 t80 -44.92 140.63 2.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.563 HG13 ' H ' ' A' ' 402' ' ' GLY . 2.5 p -45.05 -57.71 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.812 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.563 ' H ' HG13 ' A' ' 401' ' ' VAL . . . 141.97 -29.75 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.594 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -115.29 151.9 33.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 409' ' ' TYR . 1.5 ttmp? -77.9 61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -30.98 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.194 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.98 149.94 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 4.1 mttt -59.86 -23.51 63.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.68 -45.82 58.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 452' ' ' LEU . 26.3 t80 -60.86 -41.72 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 37.4 m0 -57.25 -57.26 13.4 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.5 pp -66.89 -30.02 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.855 HD13 HD21 ' A' ' 452' ' ' LEU . 9.8 mt -55.95 -68.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 110.347 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.42 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.805 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.38 -56.51 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.0 mmt -56.45 -39.58 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.022 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -56.56 -57.54 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 59.8 p -56.1 -43.91 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -54.82 -51.02 67.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 386' ' ' VAL . 5.3 tp10 -60.75 -42.99 98.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 445' ' ' ILE . 6.6 tt -57.42 -51.3 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.2 -41.75 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -29.52 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 386' ' ' VAL . 7.2 tt -74.17 -36.35 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.44 -20.0 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 71.1 m -71.89 -26.7 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.311 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 423' ' ' LEU . 10.7 p -56.1 141.88 12.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.813 0.34 . . . . 0.0 111.164 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -116.04 99.1 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 428' ' ' THR . 9.8 t -92.32 75.96 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.55 70.51 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.693 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 106.48 -25.52 22.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.697 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . 0.663 ' HG2' HG23 ' A' ' 434' ' ' VAL . 11.1 tt0 -59.77 96.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.985 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.26 -36.83 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -53.71 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.829 ' HA ' HD13 ' A' ' 383' ' ' ILE . 21.2 t -62.69 -34.64 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.777 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -54.51 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.395 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -59.44 -49.77 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.33 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.42 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.5 mtp180 -64.27 -59.19 4.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.546 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.4 OUTLIER -57.54 -37.47 73.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.406 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.25 -40.6 94.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.1 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -55.27 14.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.546 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.9 m -50.31 -46.89 26.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 442' ' ' VAL . 2.0 m -64.26 -43.48 94.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.305 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -54.88 30.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 420' ' ' LEU . 29.2 pt -54.25 -44.51 65.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.465 ' N ' HG13 ' A' ' 445' ' ' ILE . 2.8 mt-30 -71.26 -30.82 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.59 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.755 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 1.022 HD13 HD21 ' A' ' 416' ' ' LEU . 11.2 tt -67.9 -42.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.923 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.463 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -63.98 -48.42 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.54 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -59.86 -37.96 80.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.855 HD21 HD13 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -63.86 -49.33 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.48 -40.96 93.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -67.94 -42.54 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -35.04 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.508 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.823 0.344 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 433' ' ' SER . 11.0 tt -77.02 -36.84 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.9 tttp -47.47 -47.73 27.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.579 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER -59.88 -45.41 92.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.781 HG21 ' HB1' ' A' ' 437' ' ' ALA . 5.4 mm -64.11 -34.0 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 381' ' ' LYS . 16.5 mt -66.51 -45.29 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.27 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -60.33 -55.86 28.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.381 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.911 HG11 HD13 ' A' ' 423' ' ' LEU . 7.7 p -57.59 -36.03 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.33 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -61.15 -44.82 96.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 389' ' ' LYS . 0.2 OUTLIER -60.3 -42.51 95.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.909 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.2 t -63.03 -37.5 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -61.16 -55.88 27.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.885 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -58.44 -42.33 87.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.815 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.793 HD22 ' CD2' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.4 -39.69 94.09 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.949 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.441 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.3 mt-10 -59.19 -46.07 89.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.992 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.03 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.14 -59.07 6.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.498 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.499 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.7 p -52.81 -36.85 24.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.231 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.05 -2.16 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 81.8 t80 -43.52 120.9 2.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 111.272 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.8 p -46.29 -42.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.459 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.81 27.04 2.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.512 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -146.23 132.66 19.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -8.97 57.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.581 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 62.4 p -72.74 -28.09 62.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.657 0.265 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.5 162.31 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 11.9 ptpt -72.05 -25.68 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.88 25.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.662 ' HA ' HD12 ' A' ' 412' ' ' LEU . 5.4 t80 -57.37 -39.2 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.1 m0 -56.93 -65.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.991 0.424 . . . . 0.0 110.286 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.4 pp -63.08 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.356 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 393' ' ' LEU . 8.2 mt -55.76 -67.41 0.29 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -40.61 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.1 -57.25 13.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.755 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.519 ' HB3' HD11 ' A' ' 393' ' ' LEU . 2.5 mtt -58.86 -37.51 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -59.24 -55.47 34.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -43.05 89.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -55.35 -60.2 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 386' ' ' VAL . 67.1 mm-40 -58.08 -34.98 70.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 420' ' ' LEU . 8.4 tt -58.72 -50.77 72.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.63 -41.97 95.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -64.63 -32.86 74.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.911 HD13 HG11 ' A' ' 386' ' ' VAL . 53.0 tp -71.62 -52.38 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.5 -24.21 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 2.6 m -97.43 38.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 383' ' ' ILE . 14.9 p -104.13 142.71 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 150.6 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.4 t -165.46 76.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -78.41 61.73 3.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.85 16.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -103.8 113.13 26.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -57.02 -32.47 66.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . 0.873 ' HB2' HD12 ' A' ' 380' ' ' ILE . 22.6 p -58.95 -57.89 11.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.479 HG11 ' HB ' ' A' ' 428' ' ' THR . 88.1 t -67.58 -27.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -38.73 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.338 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.781 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -65.9 -33.34 75.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.849 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 442' ' ' VAL . 5.5 ttt180 -70.46 -57.02 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -55.12 -47.86 74.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.91 -44.46 94.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.248 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.61 96.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 438' ' ' ARG . 21.9 t -58.8 -48.67 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.7 OUTLIER -59.96 -39.57 86.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.312 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -58.77 5.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 446' ' ' GLN . 20.3 pt -50.82 -44.68 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 445' ' ' ILE . 39.0 mt-30 -71.3 -33.21 69.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.55 -48.17 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.636 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 416' ' ' LEU . 8.9 tt -65.47 -44.54 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.755 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -57.88 -51.67 68.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.519 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -44.11 92.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.19 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.622 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 412' ' ' LEU . 3.0 mt -65.44 -47.67 75.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.49 -37.99 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -77.98 -30.56 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -103.5 25.13 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.876 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.8 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.589 0.233 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 384' ' ' ILE . 3.2 tt -43.24 -30.09 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.872 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.817 ' HA ' HD12 ' A' ' 384' ' ' ILE . 4.6 mmtt -45.8 -58.55 3.41 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.966 0.412 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.806 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.5 OUTLIER -60.6 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.302 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.92 HD11 HG21 ' A' ' 426' ' ' VAL . 16.5 mm -69.44 -36.36 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.2 mt -68.54 -46.27 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.322 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.53 -56.97 14.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.336 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 382' ' ' LYS . 21.3 m -58.18 -35.55 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.16 -49.97 75.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -58.7 -44.42 90.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.003 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.81 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.152 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 386' ' ' VAL . 56.3 t -62.21 -38.36 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.304 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.95 -53.75 53.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.067 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.29 -44.15 88.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.776 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.2 OUTLIER -60.41 -40.49 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.966 179.189 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.38 -49.47 77.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.954 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -56.71 -43.79 80.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.76 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.55 -38.36 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.996 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.883 HG21 HG13 ' A' ' 448' ' ' ILE . 47.9 t -61.21 -49.73 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.144 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.51 -36.02 75.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.192 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.25 -14.89 52.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.998 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.4 t80 -43.06 121.1 2.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.865 0.364 . . . . 0.0 111.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.9 p -44.71 -43.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.521 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.29 26.7 2.85 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.614 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.2 131.48 18.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -11.3 58.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.545 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.1 m -72.73 -24.34 60.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.732 0.301 . . . . 0.0 110.951 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -74.41 151.23 39.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 26.8 tttt -64.79 -23.67 67.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.38 -53.98 31.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.414 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.705 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.9 t80 -57.3 -40.23 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.437 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.9 m0 -57.03 -63.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.171 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.28 -31.62 71.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.945 HD13 HD11 ' A' ' 452' ' ' LEU . 11.0 mt -53.91 -67.54 0.25 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.71 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 417' ' ' THR . 0.9 OUTLIER -63.14 -35.36 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.74 -64.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.665 ' HB3' HD11 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -56.01 -43.57 77.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.903 HD21 HG23 ' A' ' 448' ' ' ILE . 12.2 tp -60.03 -52.63 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 413' ' ' GLU . 15.0 p -54.02 -46.96 71.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -58.59 -42.58 88.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -58.47 -47.74 83.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -58.6 -52.65 64.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.677 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.97 -29.74 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.52 -37.5 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 420' ' ' LEU . 0.3 OUTLIER -76.73 -27.21 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.81 -21.16 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 57.6 m -71.83 -18.45 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.92 HG21 HD11 ' A' ' 383' ' ' ILE . 14.7 p -56.01 140.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 111.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -108.91 121.23 44.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 428' ' ' THR . 3.8 t -123.74 102.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.33 28.85 11.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.415 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 117.13 35.03 1.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -104.28 122.86 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.84 -36.79 72.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -56.24 -69.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.42 -23.77 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.266 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -64.04 -40.73 96.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -62.04 -39.83 93.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.914 ' O ' HG23 ' A' ' 442' ' ' VAL . 8.2 tpt180 -65.17 -56.07 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.538 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.0 -50.24 69.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.78 -36.25 83.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -67.05 -50.89 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.882 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 438' ' ' ARG . 6.4 t -59.72 -40.17 81.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 51.6 t -64.53 -45.08 88.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -60.53 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 420' ' ' LEU . 2.0 pp -49.84 -47.71 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.351 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.614 ' N ' HD12 ' A' ' 445' ' ' ILE . 30.3 tp60 -68.56 -30.87 69.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.09 0.471 . . . . 0.0 109.825 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.03 -46.58 67.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.709 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.903 HG23 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -66.81 -39.19 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.837 ' CD1' HD23 ' A' ' 416' ' ' LEU . 2.4 tp -64.23 -51.52 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.699 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -42.11 97.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -45.1 94.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.744 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -63.13 -44.3 95.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.71 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -30.53 60.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.47 25.03 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.648 0.261 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 383' ' ' ILE . 6.8 tp -47.07 -27.72 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.743 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -46.85 -53.06 12.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.688 ' HD3' HG23 ' A' ' 426' ' ' VAL . 0.6 OUTLIER -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.939 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 426' ' ' VAL . 17.7 mt -66.87 -40.5 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.951 0.405 . . . . 0.0 110.582 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 381' ' ' LYS . 17.3 mt -66.82 -42.83 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.237 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.408 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.4 m -59.54 -38.13 73.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.0 -51.78 67.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.238 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.9 -44.67 91.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.206 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.553 ' HE2' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.44 -42.13 81.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.079 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 386' ' ' VAL . 38.6 t -63.87 -39.22 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.221 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -53.36 59.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -56.51 -48.83 76.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.165 0.507 . . . . 0.0 110.116 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.796 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -59.88 -41.59 91.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.974 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 397' ' ' VAL . 4.8 tt0 -57.74 -40.49 79.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.66 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.53 -55.65 16.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.584 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 393' ' ' LEU . 10.5 pt-20 -62.06 -50.79 70.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.82 HG12 HD13 ' A' ' 412' ' ' LEU . 18.5 m -58.49 -37.25 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.91 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.29 -9.06 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.094 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 412' ' ' LEU . 9.9 t80 -46.46 158.75 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 111.302 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.2 p -73.92 -50.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.53 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 125.36 33.13 0.74 Allowed Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.863 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.816 ' HG2' HG22 ' A' ' 405' ' ' THR . 1.0 OUTLIER -118.05 133.61 55.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.77 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 409' ' ' TYR . 7.4 ptmt -94.57 -21.85 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.499 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . 0.816 HG22 ' HG2' ' A' ' 403' ' ' LYS . 9.2 t -72.94 -29.48 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.61 142.58 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.11 70.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 411' ' ' LEU . . . -51.97 -56.54 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.988 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.814 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.6 t80 -60.39 -31.43 70.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.108 0.48 . . . . 0.0 109.893 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -52.71 63.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.055 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 408' ' ' ALA . 0.3 OUTLIER -65.71 -37.78 87.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.82 HD13 HG12 ' A' ' 397' ' ' VAL . 19.2 mt -51.44 -68.66 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.02 0.438 . . . . 0.0 110.202 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.5 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.43 -63.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -36.5 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.044 HD21 HD13 ' A' ' 448' ' ' ILE . 20.6 mt -57.54 -57.94 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.776 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.9 m -57.43 -40.73 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.09 -53.54 56.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.452 ' HG3' HG12 ' A' ' 386' ' ' VAL . 0.3 OUTLIER -60.18 -39.84 87.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 445' ' ' ILE . 8.0 tt -57.93 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.07 -49.76 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -29.98 68.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 383' ' ' ILE . 2.0 tm? -71.6 -52.85 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -22.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.733 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.4 m -86.94 38.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.608 0.242 . . . . 0.0 111.364 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 383' ' ' ILE . 9.2 p -96.81 148.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.756 0.312 . . . . 0.0 110.978 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -102.9 122.63 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.424 ' HB ' HG11 ' A' ' 434' ' ' VAL . 4.6 t -131.82 -48.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.57 27.57 61.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 100.83 50.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -113.51 130.57 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.68 -39.23 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -54.58 -67.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.753 HG13 HD11 ' A' ' 383' ' ' ILE . 52.4 t -61.94 -25.25 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -58.58 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.519 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.21 -43.26 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -60.83 -39.02 87.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -69.19 -58.86 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -52.61 -49.79 64.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.69 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -62.81 -43.09 99.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -48.41 77.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.984 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 438' ' ' ARG . 22.4 t -57.82 -46.4 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.33 -45.66 92.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.345 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.95 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.992 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.792 HD12 HD12 ' A' ' 420' ' ' LEU . 27.5 pt -48.38 -44.71 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.458 ' N ' HG13 ' A' ' 445' ' ' ILE . 0.9 OUTLIER -69.79 -34.68 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.01 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.351 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 1.044 HD13 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -62.14 -41.47 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -51.11 71.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.64 -42.98 94.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -57.56 -44.25 85.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.699 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.814 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.2 mt -64.05 -46.35 84.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.81 -36.66 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -76.65 -32.28 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -32.16 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.693 ' OG ' HG21 ' A' ' 434' ' ' VAL . 35.0 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.9 tp -55.59 -39.61 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -52.77 -46.45 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -38.4 90.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.695 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.911 HD12 HG22 ' A' ' 434' ' ' VAL . 52.7 mt -67.28 -46.55 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 385' ' ' HIS . 32.9 pt -63.37 -39.39 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.384 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 384' ' ' ILE . 5.3 m170 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.283 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.929 HG21 HD13 ' A' ' 423' ' ' LEU . 31.3 m -58.72 -33.53 49.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.3 -52.63 64.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.027 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -57.89 -43.61 86.19 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.92 -40.92 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 386' ' ' VAL . 49.5 t -65.78 -37.73 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.24 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -58.98 -53.44 58.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.993 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.41 -45.91 84.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.849 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' ' 389' ' ' LYS . 0.3 OUTLIER -62.45 -34.6 77.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 397' ' ' VAL . 15.8 tt0 -60.56 -47.21 87.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.25 -40.32 97.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.754 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -54.89 40.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.728 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.2 m -58.72 -35.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.435 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -62.66 -40.25 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.935 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.57 -12.76 50.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.993 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.7 t80 -46.4 129.05 10.52 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.844 0.354 . . . . 0.0 110.977 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.6 p -46.07 -47.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.584 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.502 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.62 22.68 3.29 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.875 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 125.01 11.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.792 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.84 64.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.5 m -131.92 -31.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.311 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.68 161.42 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.7 OUTLIER -59.63 -20.5 56.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.97 -57.83 9.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.721 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.2 t80 -58.18 -36.45 73.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.0 m0 -56.97 -64.69 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.176 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.335 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.728 HD22 ' CG1' ' A' ' 397' ' ' VAL . 12.6 mt -56.47 -68.91 0.17 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.31 -54.72 43.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.476 ' CG ' HD11 ' A' ' 393' ' ' LEU . 22.3 tpp -58.92 -40.63 85.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.931 ' HG ' HD13 ' A' ' 449' ' ' LEU . 0.0 OUTLIER -58.8 -46.91 86.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 6.5 m -60.59 -51.01 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -55.24 -46.07 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.713 ' OE1' HG22 ' A' ' 390' ' ' VAL . 1.4 tt0 -60.25 -43.01 96.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 420' ' ' LEU . 7.8 tt -59.85 -44.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -45.88 91.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.69 -44.6 93.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.929 HD13 HG21 ' A' ' 386' ' ' VAL . 17.7 tp -62.95 -44.09 97.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.04 -20.24 37.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.409 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 60.2 p -94.38 38.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.262 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.5 p -103.73 140.08 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.98 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -98.3 73.84 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.455 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.5 t -53.11 -45.68 68.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 59.32 27.32 62.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.562 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.77 64.19 2.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.81 128.94 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -58.7 -48.45 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.7 m -56.04 -55.47 32.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.911 HG22 HD12 ' A' ' 383' ' ' ILE . 2.2 t -65.76 -29.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -55.36 35.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.253 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.97 -40.33 91.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.242 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.868 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -64.49 -32.39 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.626 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -54.61 10.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.565 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 442' ' ' VAL . 14.3 mttt -58.4 -47.71 83.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -63.75 -39.39 94.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -61.48 -54.51 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.85 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 445' ' ' ILE . 12.9 p -60.23 -36.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 22.3 t -64.12 -39.03 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.971 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.564 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -64.46 -55.19 22.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.796 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.599 HG22 ' OE1' ' A' ' 419' ' ' GLU . 17.7 pt -53.75 -44.96 60.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 121.002 0.43 . . . . 0.0 110.58 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 445' ' ' ILE . 1.8 mm100 -71.41 -30.85 66.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.76 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.27 -49.32 57.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.757 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.745 HG21 HD21 ' A' ' 416' ' ' LEU . 17.8 tt -64.59 -46.72 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.009 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.931 HD13 ' HG ' ' A' ' 416' ' ' LEU . 4.0 tp -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.01 -49.98 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.309 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -38.79 82.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.396 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 409' ' ' TYR . 2.8 mt -59.49 -52.3 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -43.62 91.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.29 -34.98 77.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -101.31 25.15 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.436 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.646 0.26 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 384' ' ' ILE . 2.0 tt -44.71 -27.76 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.1 tmtm? -44.97 -56.4 4.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -62.6 -34.74 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.618 HG21 ' CB ' ' A' ' 437' ' ' ALA . 28.7 mm -65.82 -40.45 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.0 mt -66.73 -43.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.291 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.86 -52.12 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.349 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 390' ' ' VAL . 26.9 m -61.54 -37.72 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.38 -55.81 28.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -42.55 90.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.405 ' CE ' ' CD1' ' A' ' 393' ' ' LEU . 1.2 tmtp? -58.5 -43.05 88.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 386' ' ' VAL . 48.7 t -64.45 -39.87 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.16 -53.09 62.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -57.19 -54.22 49.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.0 OUTLIER -56.17 -39.77 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.36 -47.41 78.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -46.81 87.45 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.772 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -36.65 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.866 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 393' ' ' LEU . 57.8 t -61.81 -48.37 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.168 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.52 -37.1 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.22 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -83.75 -13.36 54.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.201 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.6 t80 -44.57 130.3 6.8 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.878 0.371 . . . . 0.0 111.158 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.48 HG13 ' H ' ' A' ' 403' ' ' LYS . 6.0 p -45.51 -47.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.371 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.14 19.51 4.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.48 ' H ' HG13 ' A' ' 401' ' ' VAL . 3.5 ttmm -148.14 131.28 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 61.79 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.9 t -127.19 -31.21 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.58 161.54 19.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.474 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.3 mptp? -61.15 -20.81 63.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.4 -66.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.706 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.3 t80 -50.17 -40.67 47.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.8 m0 -53.82 -65.32 0.59 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.33 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.425 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 452' ' ' LEU . 11.8 mt -51.58 -71.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.34 -36.18 82.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -58.96 -65.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.701 ' HE2' HD11 ' A' ' 393' ' ' LEU . 27.3 mtp -58.56 -42.4 87.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.985 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 448' ' ' ILE . 18.2 tp -59.59 -52.29 66.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -57.59 -45.48 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.818 ' OE1' HG12 ' A' ' 386' ' ' VAL . 3.9 mm-40 -56.5 -37.47 70.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -61.74 -49.1 77.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.661 179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.96 -50.63 73.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.42 -30.01 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 386' ' ' VAL . 13.5 tp -64.08 -50.82 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.16 -22.03 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.643 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 24.0 p -89.9 38.15 0.91 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.504 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.608 HG21 HD11 ' A' ' 383' ' ' ILE . 7.9 p -86.77 155.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.979 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.7 OUTLIER -103.05 113.75 27.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 429' ' ' GLY . 3.4 t -126.68 -49.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 428' ' ' THR . . . 56.29 28.07 54.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.505 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 99.88 28.37 7.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 126.2 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.94 -37.55 74.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -69.08 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.4 -25.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -62.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.459 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.06 -43.07 96.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.545 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.618 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.65 -34.45 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 442' ' ' VAL . 22.2 ttt-85 -69.9 -56.66 6.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -52.96 -48.35 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.01 0.433 . . . . 0.0 110.377 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.08 -46.87 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 438' ' ' ARG . 38.6 t -58.63 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.1 m -62.84 -50.09 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -60.28 -62.06 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.045 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 420' ' ' LEU . 2.6 pp -48.23 -47.1 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.732 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.9 tt0 -68.29 -30.79 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 0.0 109.817 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.32 -51.33 45.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.5 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 416' ' ' LEU . 9.6 tt -62.84 -39.81 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.569 ' CD1' HD23 ' A' ' 416' ' ' LEU . 4.3 tp -63.51 -47.45 81.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -40.31 93.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -61.47 -48.35 81.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 412' ' ' LEU . 15.2 mt -61.26 -42.93 99.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.45 -38.3 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.85 -44.38 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -73.46 -34.59 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.9 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.481 0.181 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 383' ' ' ILE . 1.0 OUTLIER -37.8 -33.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 384' ' ' ILE . 23.5 tttp -46.62 -36.94 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -67.8 -54.08 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.043 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.941 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -58.64 -30.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 381' ' ' LYS . 26.3 mt -70.0 -53.29 24.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.321 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.52 -52.53 59.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.344 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 390' ' ' VAL . 35.4 m -61.7 -37.48 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.403 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 383' ' ' ILE . 0.7 OUTLIER -54.21 -51.37 64.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.298 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.99 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -48.08 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 386' ' ' VAL . 46.3 t -60.74 -41.62 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.343 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -54.27 -53.63 51.07 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.084 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.07 -44.27 82.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.786 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.3 OUTLIER -59.16 -43.29 92.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.6 ' CG ' HD12 ' A' ' 448' ' ' ILE . 24.7 mt-10 -56.7 -48.24 78.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.017 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.28 -45.49 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.051 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.96 -45.8 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 393' ' ' LEU . 28.2 t -54.27 -46.14 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.43 -40.87 98.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.368 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -80.3 -8.85 59.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.253 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 61.4 t80 -43.36 138.84 2.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 111.284 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -50.38 -47.22 26.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.556 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 137.4 -43.46 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.678 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.407 ' HB3' HG22 ' A' ' 405' ' ' THR . 0.8 OUTLIER -104.2 143.22 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.754 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 59.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 403' ' ' LYS . 10.9 t -134.51 -0.07 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -104.19 161.2 14.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.12 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.86 ' CE1' HD11 ' A' ' 452' ' ' LEU . 13.9 t80 -45.92 -39.01 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 29.5 m0 -60.47 -64.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.073 0.463 . . . . 0.0 110.067 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.8 pp -60.0 -25.38 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.545 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 411' ' ' LEU . 12.3 mt -62.96 -55.16 28.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.74 -50.12 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.548 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 411' ' ' LEU . 11.9 pt-20 -54.89 -47.7 73.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 393' ' ' LEU . 5.0 tpp -65.25 -44.36 88.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.704 ' HG ' HD22 ' A' ' 393' ' ' LEU . 33.9 mt -60.09 -49.22 78.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 p -58.98 -44.19 91.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.609 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -58.57 -46.34 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -50.56 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.78 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.66 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.93 -28.91 58.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' A' ' 441' ' ' ALA . 9.4 tp -65.39 -39.49 92.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.1 -7.99 52.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.504 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 38.09 1.09 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.669 0.271 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.5 p -113.09 155.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 426' ' ' VAL . 14.5 pt-20 -104.85 128.43 53.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 428' ' ' THR . 6.6 t -145.49 89.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -118.63 65.64 0.39 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 108.22 -26.44 16.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -59.14 108.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.17 -31.62 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 2.8 m -60.84 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.29 -28.61 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -60.69 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.359 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -58.11 -42.12 85.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.941 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.71 -38.0 89.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.67 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.4 tpt180 -60.86 -53.62 55.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -59.73 -47.16 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.54 -41.08 89.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.53 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 423' ' ' LEU . . . -62.22 -45.16 94.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.775 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 438' ' ' ARG . 33.5 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 5.5 t -62.35 -45.7 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -62.78 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.1 pp -48.37 -47.16 14.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.641 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -69.61 -32.13 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 179.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.24 -51.0 58.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.654 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 394' ' ' GLU . 15.7 tt -64.49 -39.36 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.777 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 445' ' ' ILE . 2.1 mp -61.42 -49.87 75.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.4 -40.21 95.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.627 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.86 HD11 ' CE1' ' A' ' 409' ' ' TYR . 2.7 tm? -64.99 -40.64 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.53 -41.8 95.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -33.94 62.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.48 25.1 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.478 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.591 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.535 0.207 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.597 HG12 HD11 ' A' ' 384' ' ' ILE . 0.6 OUTLIER -38.09 -32.32 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -60.12 -48.57 81.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.42 . . . . 0.0 110.621 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -54.4 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.962 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.9 tp -56.56 -37.13 50.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.597 HD11 HG12 ' A' ' 380' ' ' ILE . 50.5 mt -64.6 -48.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.996 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -54.25 44.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.03 0.443 . . . . 0.0 110.409 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.81 HG23 ' HB2' ' A' ' 419' ' ' GLU . 7.2 p -59.73 -33.72 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.208 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 387' ' ' LEU . 0.3 OUTLIER -58.51 -51.09 71.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.04 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.438 ' HG2' ' CE2' ' A' ' 392' ' ' TYR . 0.8 OUTLIER -60.0 -45.85 91.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.867 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -44.29 78.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 386' ' ' VAL . 82.1 t -65.21 -33.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.059 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -53.73 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.835 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 388' ' ' GLU . 21.3 m-85 -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.678 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.772 HD11 ' CG ' ' A' ' 415' ' ' MET . 0.3 OUTLIER -61.05 -37.78 83.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.938 179.005 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 397' ' ' VAL . 2.4 mm-40 -60.58 -45.11 95.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.938 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -42.74 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.972 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.78 -59.22 5.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.502 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.4 p -52.4 -37.94 24.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 110.678 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -89.2 -1.94 58.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 67.4 t80 -43.34 135.11 3.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.799 0.333 . . . . 0.0 111.386 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.5 p -52.2 -44.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.503 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 134.16 -31.76 2.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.873 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -109.63 140.47 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 57.65 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.5 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.2 161.5 25.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -21.9 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.29 -62.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 452' ' ' LEU . 20.4 t80 -58.21 -30.76 66.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -65.12 0.7 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.303 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -26.38 68.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.378 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 452' ' ' LEU . 11.4 mt -57.41 -61.46 2.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.333 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.75 -44.89 88.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.33 -55.94 28.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.772 ' CG ' HD11 ' A' ' 393' ' ' LEU . 30.0 tpp -59.17 -38.92 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.814 HD21 HD13 ' A' ' 448' ' ' ILE . 16.8 mt -63.15 -44.88 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -44.62 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -59.55 -55.94 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 386' ' ' VAL . 24.0 pt-20 -56.52 -39.49 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.53 -52.66 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.31 -40.23 81.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.727 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.77 -43.15 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 423' ' ' LEU . 1.6 tt -65.97 -38.96 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.87 -24.59 9.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.279 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.4 m -95.59 38.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.222 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.591 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.9 p -84.15 136.25 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -108.3 72.34 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 429' ' ' GLY . 8.3 t -68.19 -47.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.36 40.18 93.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.35 64.28 3.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.547 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -126.0 136.29 52.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.58 -44.57 90.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p -59.04 -56.77 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.423 HG11 ' HB ' ' A' ' 428' ' ' THR . 40.4 t -61.96 -31.94 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -61.2 -52.33 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.511 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.15 -50.34 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.28 -40.3 93.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.869 ' O ' HG23 ' A' ' 442' ' ' VAL . 64.5 ttt180 -60.53 -62.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.761 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -43.5 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.19 -53.35 58.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.962 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.27 -46.51 88.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.1 t -58.05 -39.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.9 OUTLIER -65.31 -45.4 84.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.366 179.444 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -62.64 -59.34 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.031 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.616 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -51.11 -48.5 30.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.822 0.344 . . . . 0.0 110.725 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.616 ' N ' HD12 ' A' ' 445' ' ' ILE . 6.1 tt0 -67.62 -31.54 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.02 -49.65 64.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.615 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.814 HD13 HD21 ' A' ' 416' ' ' LEU . 14.1 tt -64.42 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.555 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.568 HD12 HD13 ' A' ' 416' ' ' LEU . 1.0 OUTLIER -60.67 -55.34 34.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.36 -36.75 78.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -59.69 -46.2 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.793 HD11 HD13 ' A' ' 412' ' ' LEU . 8.4 mt -65.32 -45.77 82.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -60.56 -32.61 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.99 -48.3 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -67.01 -34.97 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.28 -1.289 . . . . 0.0 112.551 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.636 0.255 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 383' ' ' ILE . 0.7 OUTLIER -41.44 -31.5 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.815 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 384' ' ' ILE . 13.2 mtmt -45.74 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.957 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.1 OUTLIER -69.27 -54.54 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.021 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.894 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -60.98 -28.52 43.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 381' ' ' LYS . 21.1 mt -71.62 -55.38 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -55.85 -42.05 75.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.338 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 382' ' ' LYS . 32.2 t -66.39 -43.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.602 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' A' ' 440' ' ' GLU . 13.6 mt -54.42 -50.61 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 392' ' ' TYR . 0.1 OUTLIER -61.94 -51.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 179.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.51 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -57.11 -53.73 54.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.8 t -58.05 -33.21 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.42 -58.19 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.037 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 388' ' ' GLU . 7.7 m-85 -59.19 -47.94 83.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.881 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 415' ' ' MET . 0.2 OUTLIER -58.66 -35.92 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.242 179.353 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 397' ' ' VAL . 11.4 mt-10 -61.79 -53.32 57.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.02 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.22 -40.41 74.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.397 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 412' ' ' LEU . 33.8 m -52.06 -32.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.885 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.46 -34.66 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.66 2.48 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.494 ' CE1' HG12 ' A' ' 401' ' ' VAL . 59.4 t80 -45.19 147.16 0.77 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.494 HG12 ' CE1' ' A' ' 400' ' ' PHE . 3.1 p -47.36 -53.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.719 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 139.27 -33.26 2.18 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.772 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.73 129.62 55.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -68.82 62.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.7 t -135.79 -1.52 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -104.2 161.46 14.01 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.755 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.458 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.5 mptm? -60.1 -27.12 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.33 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.423 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.846 ' CE1' HD11 ' A' ' 452' ' ' LEU . 0.2 OUTLIER -47.65 -42.58 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 36.5 m0 -53.83 -64.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 0.0 110.407 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.719 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 397' ' ' VAL . 11.7 mt -58.25 -69.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.8 -43.29 98.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.93 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -53.75 -61.28 2.4 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 393' ' ' LEU . 14.9 tpp -57.91 -34.42 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.457 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.809 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -58.22 -56.64 19.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.6 p -58.25 -45.16 88.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -58.22 -45.5 87.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.719 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.9 -48.75 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.71 -44.01 90.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.21 -28.83 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 386' ' ' VAL . 12.3 tp -72.37 -41.32 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.04 -14.32 60.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.436 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.3 m -71.83 -17.15 62.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.487 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.49 HG21 HG13 ' A' ' 434' ' ' VAL . 14.4 p -54.56 155.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.798 0.332 . . . . 0.0 111.216 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 428' ' ' THR . 0.0 OUTLIER -67.1 -69.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.524 ' HB ' HG12 ' A' ' 434' ' ' VAL . 9.9 t 44.95 42.27 6.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.363 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.61 28.51 13.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 139.74 43.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.76 119.87 14.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.12 -39.0 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 t -61.71 -59.91 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' A' ' 428' ' ' THR . 22.0 t -57.53 -38.61 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.68 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.46 -48.55 78.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.323 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.894 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.09 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 442' ' ' VAL . 16.3 tpt180 -60.19 -55.16 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.436 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -60.23 -46.46 89.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.226 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . 0.78 ' OE2' HD21 ' A' ' 387' ' ' LEU . 7.6 tt0 -59.68 -41.52 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 423' ' ' LEU . . . -62.89 -42.27 99.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.667 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.2 t -63.43 -40.77 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -64.09 -44.98 90.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.386 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -62.89 -60.65 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -49.69 -48.49 20.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.606 ' N ' HD12 ' A' ' 445' ' ' ILE . 2.3 tp-100 -67.4 -34.27 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.117 0.484 . . . . 0.0 109.741 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -64.55 -51.91 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.406 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.809 HD13 HD21 ' A' ' 416' ' ' LEU . 11.8 tt -62.86 -36.23 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.802 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.4 OUTLIER -62.97 -45.91 90.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.434 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 453' ' ' GLU . 36.6 tt0 -65.62 -39.73 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -69.55 -35.92 75.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.846 HD11 ' CE1' ' A' ' 409' ' ' TYR . 0.9 OUTLIER -72.02 -42.15 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 450' ' ' GLU . 12.7 pt-20 -68.54 -43.88 75.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.38 73.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.754 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.37 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.538 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.648 0.261 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.556 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.5 OUTLIER -75.13 -32.61 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -37.48 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.892 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -66.71 -59.17 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.997 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.597 ' HB ' ' HB1' ' A' ' 437' ' ' ALA . 1.8 pp -56.29 -41.5 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.193 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.556 HD11 ' CG1' ' A' ' 380' ' ' ILE . 76.6 mt -61.26 -51.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.306 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -56.11 -38.65 71.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.286 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.95 HG21 HD13 ' A' ' 423' ' ' LEU . 21.4 t -64.97 -42.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.94 -49.97 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -44.32 93.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.638 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -56.23 -46.28 79.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.412 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.779 HG11 ' CG ' ' A' ' 444' ' ' LYS . 56.0 t -63.95 -38.22 81.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.358 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -55.98 -58.67 6.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.948 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.42 -42.88 92.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.914 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 416' ' ' LEU . 0.4 OUTLIER -55.93 -62.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.198 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 448' ' ' ILE . 1.6 tm-20 -46.08 -44.7 15.73 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.469 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -46.19 77.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.955 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . 0.615 ' HB2' HD21 ' A' ' 412' ' ' LEU . 2.1 mt-10 -61.48 -37.01 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.636 HG13 ' HG ' ' A' ' 452' ' ' LEU . 61.5 t -59.73 -47.53 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.254 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.13 -42.26 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.318 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.15 -11.9 59.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.212 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -46.26 123.53 4.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.9 0.381 . . . . 0.0 111.252 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.1 p -45.49 -42.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.426 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.63 18.61 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.727 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.489 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.5 OUTLIER -148.14 147.98 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.443 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.1 tttm -84.94 54.12 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.0 m -127.17 -31.19 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.96 174.95 11.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.49 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -77.43 -16.47 58.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -50.44 -66.12 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.383 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 412' ' ' LEU . 0.7 OUTLIER -49.52 -41.24 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.302 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.49 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.9 m0 -54.46 -65.12 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 110.411 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 452' ' ' LEU . 18.4 mt -53.61 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 417' ' ' THR . 10.1 mt-10 -60.84 -44.68 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.16 -44.23 83.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.425 ' HB2' HD21 ' A' ' 393' ' ' LEU . 15.1 mtt -64.88 -55.63 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 448' ' ' ILE . 0.6 OUTLIER -59.15 -41.76 89.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.095 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 413' ' ' GLU . 23.2 p -59.85 -51.66 68.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.375 . . . . 0.0 110.579 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -55.75 -45.71 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 386' ' ' VAL . 5.7 tp10 -60.43 -38.53 84.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 1.101 HD11 HD13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -61.63 -51.63 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.24 -46.08 83.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.789 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.93 -27.59 62.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 386' ' ' VAL . 57.3 tp -65.31 -52.55 53.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.42 -21.75 27.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.38 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -20.22 61.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.448 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.2 p -56.6 131.79 20.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -107.35 82.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.1 t -64.99 -50.06 67.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 428' ' ' THR . . . 93.14 -26.96 12.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 140.2 44.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.406 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.55 137.8 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.794 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.57 -43.74 84.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 64.4 p -62.55 -55.73 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 20.4 t -58.75 -39.52 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -50.79 72.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.57 -44.8 89.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.459 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 383' ' ' ILE . . . -61.07 -35.76 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.0 tpt180 -65.05 -54.84 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.527 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -59.24 -50.03 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.9 -36.09 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.95 86.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.8 t -61.62 -43.02 96.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.5 OUTLIER -64.71 -42.35 95.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.433 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.779 ' CG ' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -63.78 -60.52 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.024 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 1.101 HD13 HD11 ' A' ' 420' ' ' LEU . 2.5 pp -51.6 -45.32 35.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.698 ' N ' HD12 ' A' ' 445' ' ' ILE . 3.5 tp60 -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.748 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.28 -51.54 36.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.254 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.823 HD12 ' N ' ' A' ' 449' ' ' LEU . 2.8 pp -66.12 -44.87 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.562 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 448' ' ' ILE . 4.2 pp -66.77 -39.32 87.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.554 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.791 ' N ' HD12 ' A' ' 449' ' ' LEU . 0.6 OUTLIER -61.86 -48.51 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 109.952 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -37.67 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.158 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 412' ' ' LEU . 3.6 mt -59.15 -53.19 61.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -38.15 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -63.79 -37.26 86.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -85.63 -35.01 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.46 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.674 ' OG ' HG22 ' A' ' 426' ' ' VAL . 34.4 t . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.74 0.305 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.77 ' O ' HG23 ' A' ' 384' ' ' ILE . 7.5 tt -71.16 -25.8 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.414 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -64.75 -37.48 87.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -50.62 38.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.9 HD13 ' CB ' ' A' ' 437' ' ' ALA . 1.1 pt -63.11 -36.64 76.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 380' ' ' ILE . 26.5 pt -71.69 -41.44 70.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.863 0.363 . . . . 0.0 110.246 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . 0.442 ' N ' HG13 ' A' ' 384' ' ' ILE . 2.2 m-70 -58.1 -47.94 81.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.847 HG23 ' HG2' ' A' ' 419' ' ' GLU . 7.1 p -65.94 -38.33 81.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.343 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 387' ' ' LEU . 13.7 mt -52.96 -57.19 11.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.951 0.405 . . . . 0.0 110.212 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.01 -42.71 98.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.038 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -45.7 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.24 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 386' ' ' VAL . 69.3 t -62.15 -40.75 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.232 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.32 -53.63 53.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 109.979 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.81 -44.69 86.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.797 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.5 OUTLIER -60.97 -35.81 77.75 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.837 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.5 tp10 -60.85 -47.21 87.42 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.779 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.41 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.98 178.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.464 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.3 p -51.19 -36.72 16.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.572 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.84 -44.37 96.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -87.98 -1.15 57.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 56.3 t80 -42.05 139.34 1.36 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.415 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.7 p -48.3 -47.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.445 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.03 -43.93 1.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.592 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.84 159.21 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 37.6 tttt -79.25 59.61 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.0 t -123.86 -31.18 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -83.85 156.33 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.005 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.1 OUTLIER -62.4 -19.38 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -48.04 -66.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.847 0.355 . . . . 0.0 111.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 452' ' ' LEU . 8.3 t80 -47.54 -37.84 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.374 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 47.7 m0 -58.43 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 110.486 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 0.9 OUTLIER -65.44 -26.39 67.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.926 HD13 HD21 ' A' ' 452' ' ' LEU . 11.6 mt -59.9 -67.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.255 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.8 tt0 -60.66 -41.77 95.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.852 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.31 -54.71 43.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.697 ' HG2' HD11 ' A' ' 393' ' ' LEU . 3.3 ttm -58.64 -40.28 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 449' ' ' LEU . 12.3 mt -59.54 -51.92 67.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.756 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 41.7 p -56.82 -48.23 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -56.44 -42.1 77.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.847 ' HG2' HG23 ' A' ' 386' ' ' VAL . 2.9 mt-10 -59.63 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.527 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.65 -48.37 69.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.14 -37.26 79.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.59 -41.96 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.714 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.866 ' O ' HG12 ' A' ' 426' ' ' VAL . 4.3 mm? -67.64 -38.67 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.068 0.461 . . . . 0.0 110.329 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 -19.33 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.349 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.5 m -94.39 -21.34 19.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.699 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 423' ' ' LEU . 9.8 p -53.02 144.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.774 0.321 . . . . 0.0 111.357 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.73 82.82 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.14 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -100.27 30.61 3.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.824 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -83.85 79.86 1.88 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.6 66.05 1.01 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 105.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.03 -33.94 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.598 HG11 ' OG ' ' A' ' 379' ' ' SER . 16.5 t -59.41 -34.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -52.37 65.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.395 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.9 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -61.2 -34.11 74.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.583 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -61.36 -55.06 35.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.289 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -45.05 86.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.209 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.95 -45.52 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.19 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.14 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.7 t -61.32 -39.61 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 57.3 m -65.39 -44.69 86.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.242 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.559 ' HB3' HG11 ' A' ' 390' ' ' VAL . 11.9 mttp -63.9 -59.81 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.815 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -51.07 -46.29 30.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.724 ' N ' HD12 ' A' ' 445' ' ' ILE . 61.2 tt0 -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.701 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.25 -54.06 24.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.415 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 416' ' ' LEU . 13.9 tt -60.37 -40.84 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 416' ' ' LEU . 0.9 OUTLIER -60.35 -49.63 76.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.501 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.64 -46.15 84.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.94 -37.96 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.926 HD21 HD13 ' A' ' 412' ' ' LEU . 8.6 mt -62.9 -51.83 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.2 79.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.65 47.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.38 -34.92 75.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.881 ' HB2' HG11 ' A' ' 434' ' ' VAL . 33.7 p . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.605 ' HB ' HG22 ' A' ' 434' ' ' VAL . 1.5 tp -69.12 -45.4 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.256 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.479 ' N ' HG23 ' A' ' 380' ' ' ILE . 68.7 tttt -42.57 -53.77 4.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.687 ' O ' HG22 ' A' ' 386' ' ' VAL . 2.3 mtpt -63.31 -31.39 72.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.847 HD11 ' CA ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -71.24 -36.0 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.92 -45.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.358 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -52.55 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.591 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 1.061 HG21 HD12 ' A' ' 423' ' ' LEU . 27.5 m -59.62 -43.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 383' ' ' ILE . 0.8 OUTLIER -57.16 -49.89 74.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.886 0.374 . . . . 0.0 110.58 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -45.4 87.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.3 -42.37 77.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.3 t -65.66 -38.7 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.02 -56.32 23.56 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.291 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -56.12 -51.05 69.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.066 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 1.06 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -56.34 -41.73 76.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.084 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.76 -45.42 78.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.729 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.84 -46.25 88.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.7 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.9 -38.7 76.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.002 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.785 HG21 HG13 ' A' ' 448' ' ' ILE . 43.3 t -63.35 -43.68 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.371 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.67 -42.52 97.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.95 -14.16 54.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.164 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.2 t80 -48.44 122.86 5.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 110.666 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.9 p -42.13 -46.09 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.689 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.39 22.87 3.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.712 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.403 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.0 OUTLIER -148.16 142.31 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.019 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -82.16 56.34 3.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 3.6 t -121.6 -31.1 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.22 162.52 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.46 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -66.84 -17.48 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.303 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.03 -54.11 40.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.714 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.5 t80 -58.43 -37.58 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.46 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -58.77 -64.03 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.089 0.471 . . . . 0.0 110.103 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -58.79 -30.81 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.344 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 452' ' ' LEU . 14.2 mt -58.85 -65.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.806 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -61.78 -55.09 33.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.974 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 411' ' ' LEU . 2.8 pp20? -51.81 -43.92 63.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.616 0.246 . . . . 0.0 111.527 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.687 ' CG ' HD11 ' A' ' 393' ' ' LEU . 40.3 ttm -65.16 -45.11 86.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.06 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -60.96 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.0 p -59.74 -49.63 76.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -57.5 -46.1 84.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.63 81.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.848 ' HG ' HG21 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -59.13 -45.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.719 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.29 -45.3 88.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.44 -31.12 63.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 386' ' ' VAL . 5.5 tt -66.43 -39.07 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -58.74 -19.96 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.302 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 6.1 t -71.93 -20.54 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.392 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.9 p -56.93 139.34 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.808 0.337 . . . . 0.0 111.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.0 -74.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.647 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.859 HG23 HG12 ' A' ' 434' ' ' VAL . 0.7 OUTLIER 56.06 80.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -145.05 85.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 111.86 -40.3 2.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.2 113.55 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.85 -40.89 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 m -59.62 -55.0 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 379' ' ' SER . 38.2 t -59.97 -39.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.0 -48.29 80.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.45 -44.73 95.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.356 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.62 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -62.62 -47.17 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 442' ' ' VAL . 2.2 ttt180 -55.63 -56.97 14.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -48.08 69.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -48.05 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.562 ' HB2' ' HG ' ' A' ' 387' ' ' LEU . . . -60.91 -52.3 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.736 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 438' ' ' ARG . 40.3 t -53.53 -40.84 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 9.5 t -61.94 -52.47 63.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.248 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -58.65 -47.67 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.702 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.848 HG21 ' HG ' ' A' ' 420' ' ' LEU . 13.3 mt -55.43 -56.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 110.55 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.518 ' NE2' HG12 ' A' ' 442' ' ' VAL . 32.6 mt-30 -62.53 -32.57 73.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.858 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.58 -52.22 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.785 HG13 HG21 ' A' ' 397' ' ' VAL . 13.7 tt -63.89 -33.15 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -57.71 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 1.5 pt-20 -63.48 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -62.15 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -68.8 -42.18 77.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.93 82.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -31.9 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -99.42 25.12 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.494 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.723 ' CB ' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.65 0.262 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.3 tp -39.52 -32.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.952 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 384' ' ' ILE . 16.9 mmtt -48.29 -63.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -31.54 69.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.548 ' CG2' ' HB1' ' A' ' 437' ' ' ALA . 7.3 mm -65.61 -43.24 94.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 381' ' ' LYS . 5.8 mt -66.42 -41.74 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.59 -54.97 41.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 390' ' ' VAL . 33.4 m -59.71 -38.32 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.94 -53.26 58.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.09 -43.14 91.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.928 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -43.33 81.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.116 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.2 t -63.15 -41.71 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -55.25 -54.59 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.154 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.08 -42.63 81.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.86 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -61.75 -41.5 97.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.859 179.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.28 -49.8 73.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.08 -44.57 83.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.675 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.99 -36.97 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.925 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 393' ' ' LEU . 67.1 t -60.87 -48.54 88.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.205 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.74 -36.64 81.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.113 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -82.29 -13.07 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 68.8 t80 -41.93 137.98 1.64 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.6 p -48.48 -48.27 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.482 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.36 -41.47 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.803 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -106.52 151.06 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.019 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 11.1 tttt -78.92 58.45 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.6 t -123.1 -31.15 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.03 159.97 23.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -65.89 -15.6 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.356 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.19 -57.27 10.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.791 ' CE1' HD22 ' A' ' 452' ' ' LEU . 7.0 t80 -57.91 -36.51 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.4 m0 -57.08 -63.13 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.449 . . . . 0.0 110.137 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.62 -25.6 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.54 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 452' ' ' LEU . 10.0 mt -58.78 -67.29 0.38 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 417' ' ' THR . 0.7 OUTLIER -63.58 -42.24 98.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -56.55 17.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.494 ' HG2' HD11 ' A' ' 393' ' ' LEU . 13.7 ttm -60.6 -41.47 94.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.701 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -63.35 -43.78 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 413' ' ' GLU . 47.1 p -64.01 -40.19 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -58.52 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -57.28 -36.73 71.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 445' ' ' ILE . 1.8 mt -60.99 -53.74 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.72 -40.17 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.669 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.1 -32.55 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.719 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.88 ' O ' HG12 ' A' ' 426' ' ' VAL . 7.7 tp -72.92 -37.33 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.27 -13.66 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.485 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 8.2 m -71.9 -31.36 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.673 0.273 . . . . 0.0 111.155 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 423' ' ' LEU . 14.7 p -57.26 155.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -132.45 -64.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.629 ' OG1' HG21 ' A' ' 434' ' ' VAL . 86.2 m 64.76 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 123.62 -73.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -148.4 25.66 1.38 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.647 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 428' ' ' THR . 3.2 tp60 -81.05 127.82 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.47 -25.38 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 99.1 p -62.25 -69.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 438' ' ' ARG . 71.5 t -64.99 -26.66 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -60.82 -56.71 17.9 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -46.85 86.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.134 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.548 ' HB1' ' CG2' ' A' ' 383' ' ' ILE . . . -60.81 -32.32 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG12 ' A' ' 434' ' ' VAL . 0.9 OUTLIER -66.69 -62.34 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.498 179.581 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 1.6 mmtt -52.7 -38.48 60.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.458 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.38 -43.52 94.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.11 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -66.03 -56.01 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.716 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 17.1 m -50.36 -43.76 22.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.451 ' N ' HG23 ' A' ' 442' ' ' VAL . 1.7 m -64.71 -47.65 77.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 390' ' ' VAL . 13.4 tttp -62.91 -57.36 11.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.775 HD13 HD21 ' A' ' 420' ' ' LEU . 2.5 pp -52.05 -47.86 42.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.804 0.335 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.713 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -68.83 -32.97 73.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.19 -52.63 46.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.628 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.793 HG13 HG21 ' A' ' 397' ' ' VAL . 19.3 tt -63.43 -37.77 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.733 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 416' ' ' LEU . 1.7 mp -60.68 -55.43 33.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.625 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 22.9 pt-20 -60.91 -37.55 82.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -59.44 -47.29 86.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.71 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 412' ' ' LEU . 8.2 mt -67.89 -37.27 81.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.738 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -43.3 98.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.17 -35.26 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -34.76 64.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.651 ' OG ' HG11 ' A' ' 434' ' ' VAL . 3.3 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.989 0.424 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 380' ' ' ILE . 0.1 OUTLIER -76.66 -36.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.233 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 384' ' ' ILE . 11.1 ptmt -57.84 -35.42 70.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.694 ' O ' HG22 ' A' ' 386' ' ' VAL . 7.1 mtpp -70.09 -48.77 56.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.921 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.0 tp -67.82 -38.43 80.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.593 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 385' ' ' HIS . 20.2 tt -68.35 -45.17 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 0.0 110.571 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . 0.489 ' N ' HG23 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -60.11 -56.24 24.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.232 179.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 423' ' ' LEU . 27.8 m -59.05 -35.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.345 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.92 -48.64 80.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.96 -48.49 81.34 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.7 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.1 t -60.1 -37.11 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.374 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.31 -55.87 29.18 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.71 -42.9 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.703 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.2 OUTLIER -62.17 -36.9 83.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.977 178.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 448' ' ' ILE . 36.3 tt0 -60.68 -46.8 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.043 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.98 -42.12 98.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.114 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.12 -57.82 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.728 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.935 HG12 HD13 ' A' ' 412' ' ' LEU . 33.4 m -54.39 -36.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.38 -37.43 80.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.348 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.2 -5.68 57.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.303 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.756 ' HE1' ' HB3' ' A' ' 408' ' ' ALA . 73.7 t80 -47.18 145.23 2.33 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 402' ' ' GLY . 4.2 p -45.33 -51.75 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.733 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 121.0 23.59 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.79 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.412 ' H ' HG13 ' A' ' 401' ' ' VAL . 18.5 mtmt -148.1 142.23 26.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -84.77 55.85 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 6.6 t -122.7 -30.98 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.59 162.39 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.009 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.448 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -74.72 -19.37 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.756 ' HB3' ' HE1' ' A' ' 400' ' ' PHE . . . -52.36 -57.75 8.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.0 t80 -51.9 -39.1 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.6 m0 -58.0 -60.57 3.52 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.055 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -65.13 -25.55 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.622 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.935 HD13 HG12 ' A' ' 397' ' ' VAL . 11.6 mt -59.98 -67.6 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.068 0.461 . . . . 0.0 110.17 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.14 -44.58 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.47 -55.99 25.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.703 ' HG2' HD11 ' A' ' 393' ' ' LEU . 14.0 tpp -56.23 -45.9 79.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 390' ' ' VAL . 12.2 tp -60.28 -42.43 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 20.5 m -58.49 -49.35 77.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -58.45 -48.66 80.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.17 -39.88 76.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.736 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.684 HD11 HD13 ' A' ' 445' ' ' ILE . 1.3 tt -62.81 -52.72 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.39 -31.85 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.73 -54.86 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 386' ' ' VAL . 1.4 pp -64.9 -26.78 68.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -55.46 -22.48 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.1 m -94.88 38.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 111.292 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.576 HG23 ' HA ' ' A' ' 379' ' ' SER . 12.6 p -92.9 142.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.7 68.39 1.54 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 111.028 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.6 t -62.05 -49.72 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 428' ' ' THR . . . 69.67 -65.78 0.62 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.499 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 177.85 52.63 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.412 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -107.02 133.79 51.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.36 -46.3 89.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -53.29 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.651 HG11 ' OG ' ' A' ' 379' ' ' SER . 30.7 t -58.81 -39.8 78.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -47.6 85.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -59.98 -56.16 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.25 -31.73 69.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.602 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 442' ' ' VAL . 12.3 tpt180 -62.12 -58.67 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.92 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.609 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.74 -54.24 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.921 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -57.35 -48.66 78.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.4 t -59.86 -34.36 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.555 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 7.4 m -65.88 -44.89 83.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.173 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.867 ' O ' HD12 ' A' ' 448' ' ' ILE . 0.2 OUTLIER -61.09 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.735 179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.684 HD13 HD11 ' A' ' 420' ' ' LEU . 1.8 pp -51.11 -48.98 30.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 445' ' ' ILE . 7.1 tt0 -67.46 -25.31 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.148 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -72.87 -36.68 67.42 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.849 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 0.867 HD12 ' O ' ' A' ' 444' ' ' LYS . 1.7 mp -70.47 -46.49 70.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.0 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 416' ' ' LEU . 4.6 mp -59.68 -50.58 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.36 -51.66 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.663 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -38.78 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.656 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.7 mt -66.79 -36.07 81.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -39.78 77.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.37 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -86.51 -32.62 20.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.6 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.681 ' HB3' HG21 ' A' ' 434' ' ' VAL . 7.5 m . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.738 0.304 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 3.3 tt -94.3 -36.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.337 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -56.34 -40.35 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.727 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.8 OUTLIER -62.26 -56.75 15.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.044 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 437' ' ' ALA . 33.9 pt -55.17 -37.6 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 37.0 mt -63.35 -50.24 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.533 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.34 -54.14 47.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.602 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 423' ' ' LEU . 25.4 m -59.42 -34.42 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -50.12 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -44.51 96.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.235 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -54.46 45.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' VAL . . . . . 0.84 HG11 ' HB3' ' A' ' 444' ' ' LYS . 74.0 t -61.24 -32.65 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.441 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.09 -55.63 32.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.86 -40.23 83.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.638 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' LEU . . . . . 0.512 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -60.77 -47.15 87.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.048 179.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 448' ' ' ILE . 21.6 tt0 -56.17 -43.37 78.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.131 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.01 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' GLU . . . . . 0.467 ' HB2' HD21 ' A' ' 412' ' ' LEU . 1.8 mt-10 -60.17 -56.66 18.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 412' ' ' LEU . 17.9 m -54.9 -38.93 46.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.843 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.38 -45.34 94.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.15 -4.3 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.321 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' PHE . . . . . 0.482 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 85.9 t80 -47.1 123.59 5.53 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -45.15 -45.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.516 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' GLY . . . . . 0.486 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 118.23 20.7 4.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 401' ' ' VAL . 1.6 ptpp? -148.19 148.34 30.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 7.5 tmtt? -84.85 55.1 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.4 m -123.31 -31.18 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.36 167.12 16.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.444 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -70.72 -17.8 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.877 0.37 . . . . 0.0 111.245 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 412' ' ' LEU . 2.5 t80 -50.93 -39.16 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.3 m0 -56.91 -65.19 0.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.939 0.399 . . . . 0.0 110.303 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.02 -28.29 69.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.916 HD13 HD21 ' A' ' 452' ' ' LEU . 24.0 mt -58.27 -70.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.7 -59.24 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 42.0 tpp -56.84 -36.18 69.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 448' ' ' ILE . 0.3 OUTLIER -58.75 -55.73 31.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 7.5 p -58.66 -45.88 88.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.5 -50.53 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.6 -41.44 90.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -52.09 67.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.39 -38.81 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -69.97 -38.08 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 386' ' ' VAL . 7.3 tt -67.89 -37.38 81.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.09 -21.19 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 3.1 m -94.85 37.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.299 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 382' ' ' LYS . 13.4 p -104.33 119.99 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -67.03 141.08 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . 0.54 ' HB ' HG11 ' A' ' 434' ' ' VAL . 3.1 t -162.37 88.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.36 73.96 1.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.417 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 77.54 38.18 29.0 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 123.02 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.76 -43.35 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -66.16 -43.65 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' VAL . . . . . 0.681 HG21 ' HB3' ' A' ' 379' ' ' SER . 21.6 t -67.48 -41.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.45 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -52.3 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -59.47 -34.78 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 442' ' ' VAL . 6.8 ttt180 -61.04 -56.6 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 31.5 mmtt -59.87 -34.37 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.429 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.43 -44.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.459 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.03 -55.7 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.696 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.3 m -51.13 -42.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 41.8 m -67.21 -41.04 86.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.84 ' HB3' HG11 ' A' ' 390' ' ' VAL . 1.9 tttt -67.21 -54.26 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' A' ' 416' ' ' LEU . 1.9 pp -54.82 -51.1 55.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.809 0.337 . . . . 0.0 110.689 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.635 ' N ' HD12 ' A' ' 445' ' ' ILE . 4.7 pp0? -66.92 -28.17 68.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 110.059 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -62.99 -60.52 3.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.728 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 416' ' ' LEU . 1.1 pt -65.68 -30.65 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.745 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' LEU . . . . . 0.552 HD12 ' HG ' ' A' ' 416' ' ' LEU . 7.5 tt -64.67 -52.59 56.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.02 0.438 . . . . 0.0 110.261 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.93 97.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.317 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -38.05 79.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.4 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.916 HD21 HD13 ' A' ' 412' ' ' LEU . 8.1 mt -65.61 -48.79 71.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.738 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.06 -39.66 82.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -36.77 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -78.03 -34.52 50.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.23 101.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.638 2.225 . . . . 0.0 112.42 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -91.47 179.9 1.47 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.957 2.438 . . . . 0.0 112.872 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.605 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.9 OUTLIER -89.94 7.97 34.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.996 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 383' ' ' ILE . 2.2 tp -37.59 -32.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 384' ' ' ILE . 12.1 tttt -52.35 -38.46 58.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.625 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -57.76 6.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.299 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 1.041 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.2 pp -55.84 -32.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.812 0.339 . . . . 0.0 111.022 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.498 HD11 ' CG1' ' A' ' 380' ' ' ILE . 30.0 mt -67.72 -50.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -56.19 -54.43 45.24 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.778 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.6 m -59.8 -35.66 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.462 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.764 HD12 HD12 ' A' ' 383' ' ' ILE . 8.3 mt -58.05 -50.21 74.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.057 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.47 -45.09 94.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.948 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -45.92 84.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 386' ' ' VAL . 57.9 t -63.03 -34.75 68.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.294 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.53 -54.46 45.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.939 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -56.09 -45.52 79.37 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.853 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -63.24 -36.36 83.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.943 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 397' ' ' VAL . 6.1 tt0 -57.33 -49.57 75.7 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.747 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -63.43 -37.87 88.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.566 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -62.32 -55.78 24.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.4 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.77 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.8 m -56.11 -36.92 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -41.63 98.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.979 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -87.86 -4.8 58.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.8 t80 -41.08 127.36 2.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.828 0.346 . . . . 0.0 111.282 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.1 p -43.86 -45.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.488 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.49 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 115.72 25.45 3.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.622 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.17 124.35 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CG ' ' CD2' ' A' ' 409' ' ' TYR . 7.0 ttpt -61.74 -15.64 42.6 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.6 p -72.7 -21.68 61.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.695 0.283 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.05 147.2 45.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 9.6 tttp -62.6 -25.95 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.79 -50.97 62.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.728 ' HA ' HD12 ' A' ' 412' ' ' LEU . 9.5 t80 -59.11 -38.55 79.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 48.9 m0 -58.05 -61.26 2.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.151 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.2 pp -63.94 -27.56 69.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.921 HD23 HD23 ' A' ' 393' ' ' LEU . 11.6 mt -58.84 -68.37 0.27 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.431 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.12 -38.07 87.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.9 -60.93 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 37.2 tpp -59.1 -38.83 80.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -63.35 -46.06 88.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.735 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 25.1 m -60.08 -50.19 74.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.72 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 386' ' ' VAL . 4.2 tp10 -58.8 -43.67 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.673 ' CD1' HD13 ' A' ' 445' ' ' ILE . 1.2 tt -61.69 -50.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.2 mp -61.32 -31.51 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.689 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.5 pp -59.34 -29.49 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -56.35 -22.82 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.351 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 5.1 m -96.05 37.96 1.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 379' ' ' SER . 8.0 p -87.1 141.42 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.958 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -108.3 105.68 15.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.1 t -98.36 -47.32 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 428' ' ' THR . . . 55.08 26.94 43.98 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 102.25 58.43 0.78 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.585 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -124.9 121.15 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.66 -44.25 93.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -56.49 21.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.65 -35.09 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -59.98 -58.6 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.68 -47.56 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 1.041 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -63.1 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -59.35 -57.59 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.689 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -47.58 81.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.9 -42.28 89.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.699 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.38 77.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 438' ' ' ARG . 15.5 t -60.23 -39.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.6 OUTLIER -62.23 -47.37 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -61.99 -62.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.673 HD13 ' CD1' ' A' ' 420' ' ' LEU . 1.9 pp -48.5 -48.1 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.737 0.303 . . . . 0.0 110.82 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.58 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.1 tt0 -68.59 -30.24 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.032 0.444 . . . . 0.0 109.93 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -68.73 -49.53 58.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.621 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 416' ' ' LEU . 14.7 tt -64.66 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.841 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.733 HD12 HD23 ' A' ' 416' ' ' LEU . 1.2 tp -63.19 -49.07 75.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.586 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -43.08 96.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -60.31 -44.16 95.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.899 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.16 -42.73 86.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -66.25 -36.23 82.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -97.26 25.05 5.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.47 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.612 0.244 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.552 ' O ' HG22 ' A' ' 380' ' ' ILE . 50.1 Cg_exo -53.44 -177.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.574 2.183 . . . . 0.0 112.24 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.39 -21.35 17.78 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.606 2.204 . . . . 0.0 112.579 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.699 ' HB2' HG21 ' A' ' 434' ' ' VAL . 0.0 OUTLIER -50.71 -26.55 5.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.386 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 377' ' ' PRO . 0.9 OUTLIER -80.71 -43.24 21.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.313 . . . . 0.0 111.338 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -57.39 -40.11 77.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.042 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -63.3 -55.96 20.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.536 HD12 ' CB ' ' A' ' 437' ' ' ALA . 46.7 pt -57.26 -36.25 51.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.263 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 380' ' ' ILE . 33.2 mt -65.8 -48.37 82.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.463 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -56.88 -53.02 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.635 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.863 HG21 HD12 ' A' ' 423' ' ' LEU . 23.1 m -58.75 -39.24 76.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.744 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 387' ' ' LEU . 14.0 mt -56.97 -54.43 46.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -42.47 83.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -47.33 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 444' ' ' LYS . 49.0 t -61.98 -39.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.434 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.55 -55.63 29.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.1 -38.82 77.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.759 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 397' ' ' VAL . 5.5 mt -63.59 -44.41 94.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.043 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.28 -49.71 71.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.993 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.81 -42.32 88.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.729 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.25 -35.8 80.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.083 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 393' ' ' LEU . 39.9 t -64.89 -47.33 88.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.307 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.95 -38.31 85.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.298 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.21 -16.9 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.998 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.483 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 86.8 t80 -47.59 122.58 4.94 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.7 p -45.76 -43.08 4.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.444 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.39 18.3 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.711 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.485 ' H ' HG13 ' A' ' 401' ' ' VAL . 8.3 mmmm -148.1 158.88 44.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.338 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.2 ttmm -90.55 47.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.1 m -116.36 -30.97 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -85.33 168.79 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -74.88 -15.2 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.64 -56.92 10.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.803 0.335 . . . . 0.0 111.361 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.708 ' HA ' HD12 ' A' ' 412' ' ' LEU . 4.2 t80 -56.67 -38.92 72.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -56.49 -65.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -60.91 -30.17 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 1.004 HD13 HD11 ' A' ' 452' ' ' LEU . 13.4 mt -56.36 -70.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.641 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.46 -31.57 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -68.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.802 ' HG3' HD11 ' A' ' 393' ' ' LEU . 12.3 ptp -62.2 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.694 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.866 HD13 HD12 ' A' ' 449' ' ' LEU . 13.9 mt -59.6 -57.53 12.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.911 0.386 . . . . 0.0 110.526 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.581 ' HA ' HD21 ' A' ' 420' ' ' LEU . 26.8 m -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -42.25 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.528 ' HG2' HG12 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -60.34 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.877 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 421' ' ' LEU . 3.1 pp -56.62 -39.48 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 420' ' ' LEU . 32.2 tp -58.54 -47.16 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.641 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.863 HD12 HG21 ' A' ' 386' ' ' VAL . 6.6 tt -61.98 -46.37 89.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.805 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -55.51 -21.77 18.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.218 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 58.0 m -94.8 25.75 3.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.353 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.783 HG23 ' HB2' ' A' ' 382' ' ' LYS . 11.7 p -82.01 124.71 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.84 74.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 m -98.08 83.05 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.28 -67.23 2.28 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.579 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -162.41 47.31 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . 0.472 ' HB3' HG23 ' A' ' 434' ' ' VAL . 5.5 tp60 -97.85 126.74 43.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.46 -44.58 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -49.73 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 379' ' ' SER . 22.7 t -62.97 -35.07 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -55.52 26.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.448 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -58.07 -42.11 84.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.341 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -64.89 -34.63 78.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.8 ttt-85 -63.56 -56.17 18.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.434 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 9.5 ttpt -60.2 -35.93 76.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.342 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.66 -42.77 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.86 -58.14 6.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 11.3 m -47.6 -44.59 10.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 110.936 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -65.89 -42.83 89.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.177 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.658 ' HG2' HG11 ' A' ' 390' ' ' VAL . 3.7 tttt -65.38 -58.17 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.868 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.726 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.5 pp -51.56 -46.64 37.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.572 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.726 ' N ' HD12 ' A' ' 445' ' ' ILE . 13.7 tp60 -68.93 -33.5 73.84 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.92 -51.34 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.548 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 397' ' ' VAL . 15.5 tt -63.45 -38.16 81.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.561 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.866 HD12 HD13 ' A' ' 416' ' ' LEU . 1.2 mp -61.17 -50.66 72.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.454 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.66 -43.69 97.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -58.75 -43.18 90.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -64.16 -46.25 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.708 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -58.96 -40.85 85.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -68.57 -41.25 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -73.65 -35.01 65.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.452 -1.194 . . . . 0.0 112.561 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.591 0.234 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.1 110.14 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.527 2.152 . . . . 0.0 112.101 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.79 91.23 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.442 2.095 . . . . 0.0 112.712 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.441 ' CB ' HG23 ' A' ' 426' ' ' VAL . 22.9 t -103.11 7.45 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.034 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.84 ' CD1' HD11 ' A' ' 383' ' ' ILE . 0.5 OUTLIER -41.43 -32.87 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.846 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -48.8 -31.83 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 386' ' ' VAL . 4.9 mmtp -67.25 -54.76 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.817 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.84 HD11 ' CD1' ' A' ' 380' ' ' ILE . 5.6 pt -59.67 -30.01 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 381' ' ' LYS . 18.6 mt -70.58 -51.58 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.96 -51.76 67.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 423' ' ' LEU . 10.5 p -61.92 -41.01 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 386' ' ' VAL . 9.2 mt -53.65 -54.49 37.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.649 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.06 -47.09 87.33 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.361 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -46.1 83.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.545 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.0 t -60.4 -40.35 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.361 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.47 -52.15 66.55 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.092 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -58.83 -41.69 87.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.849 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.6 OUTLIER -62.46 -41.12 98.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.01 179.137 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.92 -50.52 73.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.955 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.4 -42.45 82.25 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.872 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . 0.496 ' HG3' HD21 ' A' ' 412' ' ' LEU . 8.8 tp10 -62.54 -37.64 86.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.99 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 393' ' ' LEU . 51.8 t -61.41 -47.7 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.342 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.33 -37.16 86.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.383 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -82.81 -12.71 57.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.208 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 57.9 t80 -43.56 138.9 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.876 0.37 . . . . 0.0 111.18 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.2 p -49.82 -47.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.565 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.483 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.25 -44.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.711 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -108.45 157.2 18.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -76.68 60.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 4.8 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -83.71 155.27 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 11.3 tttt -62.6 -18.45 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.79 -61.64 2.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.373 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.63 ' CE1' HD22 ' A' ' 452' ' ' LEU . 2.6 t80 -49.87 -39.75 40.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.131 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.447 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.6 m0 -57.74 -63.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.162 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -62.53 -25.64 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 452' ' ' LEU . 11.1 mt -59.6 -65.39 0.68 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 416' ' ' LEU . 5.7 pt-20 -63.88 -36.39 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.908 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 413' ' ' GLU . 3.7 tt0 -60.2 -57.36 13.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.401 ' HB3' HD11 ' A' ' 393' ' ' LEU . 4.0 tpp -59.68 -39.66 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.67 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 449' ' ' LEU . 14.5 mt -60.23 -50.88 71.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 22.3 p -58.67 -46.76 86.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -51.33 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 386' ' ' VAL . 1.1 tp10 -58.58 -41.16 85.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.43 -51.36 70.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.66 -32.22 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.659 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -70.35 -58.06 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.891 HD23 HG21 ' A' ' 386' ' ' VAL . 2.9 pp -60.22 -31.35 70.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -57.59 -20.93 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.266 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 25.0 p -93.72 38.02 1.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.757 0.313 . . . . 0.0 111.337 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.441 HG23 ' CB ' ' A' ' 379' ' ' SER . 12.3 p -101.25 136.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.074 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -78.16 116.84 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.496 HG21 ' HD3' ' A' ' 438' ' ' ARG . 10.0 t -136.79 31.38 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.06 49.79 3.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 138.43 44.82 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -155.28 109.5 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.27 -31.17 67.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -62.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 426' ' ' VAL . 25.2 t -59.87 -32.13 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -59.31 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.553 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -46.04 83.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.525 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.833 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -63.97 -36.39 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.758 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.838 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.6 OUTLIER -60.59 -54.58 43.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.504 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -59.95 -42.89 95.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.1 -46.17 91.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.502 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.77 93.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 438' ' ' ARG . 27.3 t -63.5 -41.34 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.695 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.4 t -63.14 -45.25 92.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.633 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.501 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -62.52 -60.96 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 446' ' ' GLN . 1.9 pp -49.34 -48.4 18.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.595 ' N ' HD12 ' A' ' 445' ' ' ILE . 5.1 mt-30 -68.32 -31.96 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.875 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -65.74 -53.97 33.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.592 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 416' ' ' LEU . 13.4 tt -62.15 -39.02 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.561 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.763 HD12 HD13 ' A' ' 416' ' ' LEU . 1.3 mp -58.92 -56.49 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.38 -35.06 74.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.547 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.09 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 412' ' ' LEU . 11.2 mt -67.8 -40.67 83.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.759 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -38.6 85.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -76.58 -37.07 57.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.44 25.06 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.449 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.695 0.283 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.442 ' HB3' ' HD2' ' A' ' 378' ' ' PRO . 51.7 Cg_exo -52.61 -175.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.597 2.198 . . . . 0.0 112.012 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 377' ' ' PRO . 92.8 Cg_endo -80.59 50.08 3.44 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.451 2.101 . . . . 0.0 112.69 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.799 ' OG ' HG21 ' A' ' 434' ' ' VAL . 6.2 p -103.3 -38.03 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.574 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.8 OUTLIER -75.08 -36.99 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.311 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -42.02 81.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -64.07 -55.08 24.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.133 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.6 tp -58.38 -36.51 58.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.174 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.574 HD11 ' CG1' ' A' ' 380' ' ' ILE . 49.7 mt -64.88 -47.62 87.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.398 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -56.98 -54.16 49.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.445 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 423' ' ' LEU . 24.2 m -58.89 -35.31 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.9 tp -60.52 -49.51 77.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.109 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.98 -44.32 91.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.993 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.403 ' HD2' ' CG ' ' A' ' 415' ' ' MET . 0.6 OUTLIER -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.065 179.055 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.1 t -63.6 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -56.85 -51.71 67.95 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.837 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.3 -45.45 84.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.659 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 412' ' ' LEU . 0.4 OUTLIER -61.71 -36.09 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 178.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 397' ' ' VAL . 1.2 tm-20 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.025 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.37 -42.55 99.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.9 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.37 -58.39 8.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.509 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.684 HG12 HD13 ' A' ' 412' ' ' LEU . 34.9 m -52.67 -36.93 23.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.622 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.27 -44.62 94.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -84.34 -4.57 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.936 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 84.6 t80 -41.2 136.38 1.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.374 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 402' ' ' GLY . 3.8 p -45.82 -51.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.628 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.73 -35.07 2.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.667 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 154.06 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.416 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 9.6 tttm -82.14 55.97 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -8.8 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.445 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -104.04 155.2 18.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.733 0.302 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.431 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.9 OUTLIER -60.91 -19.35 60.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.26 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.22 -62.54 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.385 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.698 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.5 t80 -52.37 -36.1 52.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.157 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.6 m0 -58.67 -63.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.272 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 1.1 pp -63.16 -27.21 69.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.2 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.723 HD23 HD23 ' A' ' 393' ' ' LEU . 12.4 mt -57.46 -71.33 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.365 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' A' ' 416' ' ' LEU . 10.8 mm-40 -59.01 -42.15 89.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.947 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.77 -55.73 28.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.518 ' HB3' HD11 ' A' ' 393' ' ' LEU . 33.1 tpp -58.18 -39.72 79.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.652 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 413' ' ' GLU . 15.7 mt -59.6 -53.49 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.45 -46.58 80.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -46.74 84.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -45.75 89.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.6 ' HG ' HG21 ' A' ' 445' ' ' ILE . 12.8 mt -58.17 -53.4 58.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.88 -30.86 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -69.17 -60.73 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.796 ' HB3' HG11 ' A' ' 386' ' ' VAL . 2.8 pp -59.76 -29.39 68.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.017 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -56.26 -22.28 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.5 m -95.89 38.2 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.178 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.3 p -89.82 147.35 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -114.84 79.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 429' ' ' GLY . 9.4 t -73.56 -47.98 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.448 ' N ' HG23 ' A' ' 428' ' ' THR . . . 53.54 24.37 23.89 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.572 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 103.72 98.83 2.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -165.56 122.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -45.67 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -55.38 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.799 HG21 ' OG ' ' A' ' 379' ' ' SER . 35.7 t -58.14 -41.71 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -45.34 91.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.63 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.94 -53.41 57.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.452 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.47 -34.01 72.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.597 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.876 ' O ' HG23 ' A' ' 442' ' ' VAL . 1.7 ttt85 -62.43 -62.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -44.82 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.996 0.427 . . . . 0.0 110.831 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.88 -53.02 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.607 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.57 -47.19 86.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 438' ' ' ARG . 43.4 t -55.17 -41.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.3 m -63.51 -50.25 70.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.269 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -57.28 -48.88 77.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 442' ' ' VAL . 9.2 mt -55.49 -52.57 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.55 -28.34 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.931 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -70.53 -47.28 61.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.734 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 445' ' ' ILE . 11.0 tt -66.54 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.3 mp -65.63 -54.74 23.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.589 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -58.45 -41.5 85.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -59.94 -46.55 89.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.698 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.0 mt -59.89 -47.15 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.93 -42.48 89.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -52.91 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.768 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -67.49 -35.04 78.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.565 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.475 ' O ' HG22 ' A' ' 380' ' ' ILE . 49.7 m . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 378' ' ' PRO . 39.1 Cg_exo -55.84 -45.54 38.13 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.652 2.234 . . . . 0.0 112.634 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 377' ' ' PRO . 36.7 Cg_exo -57.53 -19.7 37.91 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.273 1.982 . . . . 0.0 112.52 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.465 ' OG ' HG21 ' A' ' 434' ' ' VAL . 1.0 OUTLIER -103.25 -33.43 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.789 -179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 1.0 OUTLIER -97.99 -46.71 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.33 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 380' ' ' ILE . 6.1 tttm -47.29 -32.77 4.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -66.95 -60.48 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.971 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.5 tp -57.39 -35.31 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.034 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 45.6 mt -65.25 -47.92 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . 0.416 ' CE1' ' HG2' ' A' ' 381' ' ' LYS . 57.5 m170 -56.53 -53.72 54.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.336 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 390' ' ' VAL . 22.7 m -59.43 -34.9 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -51.6 69.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.124 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -45.37 90.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.949 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.81 -40.88 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.035 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 386' ' ' VAL . 58.0 t -64.35 -39.89 87.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -52.54 65.0 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.948 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.02 -45.43 83.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.771 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.673 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.61 -34.38 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.819 178.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.469 ' O ' HG12 ' A' ' 397' ' ' VAL . 10.9 tt0 -60.08 -49.2 78.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.877 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -39.53 92.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.775 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.0 -56.58 19.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.491 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.737 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.2 p -56.72 -35.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.399 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.048 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -89.26 -4.9 58.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.176 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 48.2 t80 -41.98 142.09 0.76 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.916 0.389 . . . . 0.0 111.334 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 402' ' ' GLY . 5.5 p -49.83 -48.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.478 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.76 -39.45 1.66 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.574 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -111.42 142.68 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 62.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.91 -31.16 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.61 158.55 24.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -57.54 -23.18 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.29 -64.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.227 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.746 ' CE1' HD23 ' A' ' 452' ' ' LEU . 23.6 t80 -47.59 -39.56 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.058 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.2 m0 -57.72 -64.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.315 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.1 pp -62.96 -25.15 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.627 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.837 HD13 HD11 ' A' ' 452' ' ' LEU . 13.2 mt -59.57 -67.89 0.34 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.064 0.459 . . . . 0.0 110.49 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.3 tt0 -63.05 -38.49 91.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.27 -54.98 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.435 ' HB3' HD11 ' A' ' 393' ' ' LEU . 17.5 tpp -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.694 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 393' ' ' LEU . 10.2 mt -58.82 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 23.0 p -59.98 -43.53 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -57.79 -55.26 37.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.829 ' OE2' HG22 ' A' ' 390' ' ' VAL . 18.6 pt-20 -59.17 -36.83 75.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.683 HD23 ' OD2' ' A' ' 424' ' ' ASP . 1.0 OUTLIER -60.02 -53.36 58.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 42.9 mt -64.21 -33.94 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.07 -60.29 4.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.757 ' HB3' HG11 ' A' ' 386' ' ' VAL . 3.9 pp -64.71 -31.56 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.683 ' OD2' HD23 ' A' ' 420' ' ' LEU . 19.5 m-20 -54.26 -24.97 20.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.99 37.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.31 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -96.13 97.21 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.893 ' OG1' HG11 ' A' ' 434' ' ' VAL . 46.2 m -135.92 97.76 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.66 28.58 12.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 145.55 61.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.584 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -132.89 116.47 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.38 -42.46 98.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.002 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.493 ' CB ' HD13 ' A' ' 380' ' ' ILE . 0.7 OUTLIER -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.893 HG11 ' OG1' ' A' ' 428' ' ' THR . 38.4 t -58.92 -38.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -53.54 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.774 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -58.23 -54.07 51.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.724 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.764 ' O ' HG13 ' A' ' 442' ' ' VAL . 16.2 ttt85 -62.47 -55.67 25.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.488 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.537 ' HA ' HG22 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -60.93 -37.37 82.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.344 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -67.31 -47.34 70.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.988 0.423 . . . . 0.0 110.114 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.971 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -67.14 -51.67 51.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 438' ' ' ARG . 26.3 m -53.4 -44.99 56.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.496 ' N ' HG23 ' A' ' 442' ' ' VAL . 49.8 t -63.41 -45.76 89.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.37 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -56.73 15.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 446' ' ' GLN . 29.6 pt -52.63 -44.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.475 ' N ' HG13 ' A' ' 445' ' ' ILE . 28.5 mm-40 -71.13 -31.75 68.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.202 0.525 . . . . 0.0 109.813 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.32 69.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.508 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 416' ' ' LEU . 16.1 tt -67.95 -38.53 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.734 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 416' ' ' LEU . 1.4 mp -61.88 -50.79 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.6 -42.42 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.683 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -60.37 -39.12 86.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.837 HD11 HD13 ' A' ' 412' ' ' LEU . 0.2 OUTLIER -72.29 -45.55 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -30.38 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -55.08 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -34.92 78.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.587 0.232 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.69 170.48 20.23 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.576 2.184 . . . . 0.0 112.379 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.66 62.13 2.26 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.59 2.193 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 434' ' ' VAL . 0.3 OUTLIER -103.27 -23.55 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.131 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.54 ' CG1' HD11 ' A' ' 384' ' ' ILE . 0.7 OUTLIER -65.91 -45.24 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 0.0 111.514 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 380' ' ' ILE . 0.0 OUTLIER -55.19 -40.3 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.199 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.665 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -64.23 -55.58 20.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 434' ' ' VAL . 35.5 pt -56.28 -35.69 43.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.54 HD11 ' CG1' ' A' ' 380' ' ' ILE . 26.1 mt -66.66 -52.18 48.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.7 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -57.21 -56.08 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 423' ' ' LEU . 30.1 m -57.98 -37.24 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.79 -52.72 64.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -59.22 -44.75 92.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.447 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -56.43 -46.32 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.538 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 386' ' ' VAL . 99.1 t -63.78 -38.27 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.2 -54.29 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 110.059 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -58.07 -44.58 87.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.94 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.693 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -61.5 -38.18 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.165 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.486 ' O ' HG12 ' A' ' 397' ' ' VAL . 8.5 mt-10 -60.05 -47.82 84.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.066 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -60.87 -44.28 97.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.223 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.39 -57.76 11.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.564 HG23 ' HG ' ' A' ' 452' ' ' LEU . 9.7 p -54.4 -36.13 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.705 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -41.56 98.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.377 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -91.36 -2.43 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.25 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 92.4 t80 -44.92 140.63 2.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.563 HG13 ' H ' ' A' ' 402' ' ' GLY . 2.5 p -45.05 -57.71 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.812 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.563 ' H ' HG13 ' A' ' 401' ' ' VAL . . . 141.97 -29.75 2.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.594 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -115.29 151.9 33.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 409' ' ' TYR . 1.5 ttmp? -77.9 61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.2 -30.98 3.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.194 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -80.98 149.94 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 4.1 mttt -59.86 -23.51 63.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -50.68 -45.82 58.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 452' ' ' LEU . 26.3 t80 -60.86 -41.72 96.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.451 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 37.4 m0 -57.25 -57.26 13.4 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.5 pp -66.89 -30.02 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.855 HD13 HD21 ' A' ' 452' ' ' LEU . 9.8 mt -55.95 -68.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 110.347 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -62.42 -44.16 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.805 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.38 -56.51 20.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.772 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.0 mmt -56.45 -39.58 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.592 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.022 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -56.56 -57.54 11.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.713 179.604 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 59.8 p -56.1 -43.91 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -54.82 -51.02 67.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 386' ' ' VAL . 5.3 tp10 -60.75 -42.99 98.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 445' ' ' ILE . 6.6 tt -57.42 -51.3 69.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.2 -41.75 93.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.686 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -29.52 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 386' ' ' VAL . 7.2 tt -74.17 -36.35 64.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.44 -20.0 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.324 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 71.1 m -71.89 -26.7 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.311 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 423' ' ' LEU . 10.7 p -56.1 141.88 12.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.813 0.34 . . . . 0.0 111.164 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -116.04 99.1 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 428' ' ' THR . 9.8 t -92.32 75.96 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -90.55 70.51 2.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.693 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 106.48 -25.52 22.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.697 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . 0.663 ' HG2' HG23 ' A' ' 434' ' ' VAL . 11.1 tt0 -59.77 96.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.985 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.26 -36.83 69.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -53.71 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.829 ' HA ' HD13 ' A' ' 383' ' ' ILE . 21.2 t -62.69 -34.64 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.777 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -54.51 46.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.395 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -59.44 -49.77 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.33 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.42 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 442' ' ' VAL . 1.5 mtp180 -64.27 -59.19 4.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.453 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.546 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 0.4 OUTLIER -57.54 -37.47 73.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.406 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.25 -40.6 94.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.1 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -55.27 14.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.738 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.546 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.9 m -50.31 -46.89 26.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 442' ' ' VAL . 2.0 m -64.26 -43.48 94.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.305 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.18 -54.88 30.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.032 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 420' ' ' LEU . 29.2 pt -54.25 -44.51 65.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.465 ' N ' HG13 ' A' ' 445' ' ' ILE . 2.8 mt-30 -71.26 -30.82 66.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.59 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.755 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 1.022 HD13 HD21 ' A' ' 416' ' ' LEU . 11.2 tt -67.9 -42.58 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.923 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.463 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -63.98 -48.42 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.54 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -59.86 -37.96 80.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.855 HD21 HD13 ' A' ' 412' ' ' LEU . 0.1 OUTLIER -63.86 -49.33 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.48 -40.96 93.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -67.94 -42.54 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -35.04 65.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.508 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 379' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 376' ' ' THR . 28.3 Cg_exo -60.27 -47.79 13.6 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.401 2.067 . . . . 0.0 112.85 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.431 ' HD3' ' HB2' ' A' ' 377' ' ' PRO . 73.1 Cg_endo -87.79 24.17 0.74 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.727 2.284 . . . . 0.0 113.049 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.682 ' HB3' HG22 ' A' ' 376' ' ' THR . 6.9 p -101.26 -53.9 2.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 433' ' ' SER . 11.0 tt -77.02 -36.84 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.888 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.9 tttp -47.47 -47.73 27.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.127 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.579 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER -59.88 -45.41 92.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.781 HG21 ' HB1' ' A' ' 437' ' ' ALA . 5.4 mm -64.11 -34.0 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 381' ' ' LYS . 16.5 mt -66.51 -45.29 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.27 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -60.33 -55.86 28.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.381 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.911 HG11 HD13 ' A' ' 423' ' ' LEU . 7.7 p -57.59 -36.03 52.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.489 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.33 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -61.15 -44.82 96.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.231 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 389' ' ' LYS . 0.2 OUTLIER -60.3 -42.51 95.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.909 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.2 t -63.03 -37.5 79.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -61.16 -55.88 27.18 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.885 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -58.44 -42.33 87.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.815 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.793 HD22 ' CD2' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -62.4 -39.69 94.09 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.949 179.006 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.441 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.3 mt-10 -59.19 -46.07 89.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.992 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -43.83 98.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.03 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.14 -59.07 6.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.498 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.499 HG23 ' HG ' ' A' ' 452' ' ' LEU . 7.7 p -52.81 -36.85 24.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.231 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.05 -2.16 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 81.8 t80 -43.52 120.9 2.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.853 0.359 . . . . 0.0 111.272 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.8 p -46.29 -42.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.459 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.81 27.04 2.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.512 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -146.23 132.66 19.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -8.97 57.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.581 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 62.4 p -72.74 -28.09 62.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.657 0.265 . . . . 0.0 110.973 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -70.5 162.31 29.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.45 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 11.9 ptpt -72.05 -25.68 61.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -52.2 -54.88 25.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.662 ' HA ' HD12 ' A' ' 412' ' ' LEU . 5.4 t80 -57.37 -39.2 75.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.45 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.1 m0 -56.93 -65.07 0.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.991 0.424 . . . . 0.0 110.286 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.4 pp -63.08 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.356 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 393' ' ' LEU . 8.2 mt -55.76 -67.41 0.29 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -40.61 97.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.832 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.1 -57.25 13.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.755 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.519 ' HB3' HD11 ' A' ' 393' ' ' LEU . 2.5 mtt -58.86 -37.51 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -59.24 -55.47 34.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -43.05 89.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -55.35 -60.2 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.89 ' HB3' HG23 ' A' ' 386' ' ' VAL . 67.1 mm-40 -58.08 -34.98 70.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 420' ' ' LEU . 8.4 tt -58.72 -50.77 72.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.731 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.63 -41.97 95.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -64.63 -32.86 74.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.911 HD13 HG11 ' A' ' 386' ' ' VAL . 53.0 tp -71.62 -52.38 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.5 -24.21 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 2.6 m -97.43 38.07 1.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 383' ' ' ILE . 14.9 p -104.13 142.71 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.75 150.6 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.4 t -165.46 76.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -78.41 61.73 3.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 78.7 40.85 16.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -103.8 113.13 26.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -57.02 -32.47 66.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.873 ' HB2' HD12 ' A' ' 380' ' ' ILE . 22.6 p -58.95 -57.89 11.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.479 HG11 ' HB ' ' A' ' 428' ' ' THR . 88.1 t -67.58 -27.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.373 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.82 -38.73 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.338 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.781 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -65.9 -33.34 75.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.849 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 442' ' ' VAL . 5.5 ttt180 -70.46 -57.02 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -55.12 -47.86 74.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.91 -44.46 94.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.248 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.61 96.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 438' ' ' ARG . 21.9 t -58.8 -48.67 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.7 OUTLIER -59.96 -39.57 86.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.312 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -58.77 5.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 446' ' ' GLN . 20.3 pt -50.82 -44.68 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.418 ' N ' HG13 ' A' ' 445' ' ' ILE . 39.0 mt-30 -71.3 -33.21 69.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.55 -48.17 70.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.636 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 1.003 HD13 HD21 ' A' ' 416' ' ' LEU . 8.9 tt -65.47 -44.54 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.755 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.3 OUTLIER -57.88 -51.67 68.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.519 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -44.11 92.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.614 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.19 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.622 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 412' ' ' LEU . 3.0 mt -65.44 -47.67 75.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.651 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.49 -37.99 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -77.98 -30.56 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -103.5 25.13 10.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.463 0.173 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.36 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.548 2.165 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.411 ' HG2' HG22 ' A' ' 380' ' ' ILE . 80.2 Cg_endo -90.41 163.72 4.46 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.933 2.422 . . . . 0.0 112.696 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.876 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.8 m -89.4 7.44 35.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.081 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 384' ' ' ILE . 3.2 tt -43.24 -30.09 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.872 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.817 ' HA ' HD12 ' A' ' 384' ' ' ILE . 4.6 mmtt -45.8 -58.55 3.41 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.966 0.412 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.806 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.5 OUTLIER -60.6 -32.37 71.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.302 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.92 HD11 HG21 ' A' ' 426' ' ' VAL . 16.5 mm -69.44 -36.36 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.2 mt -68.54 -46.27 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.322 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.53 -56.97 14.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.336 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 382' ' ' LYS . 21.3 m -58.18 -35.55 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.16 -49.97 75.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -58.7 -44.42 90.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.003 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.81 -46.95 74.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.152 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 386' ' ' VAL . 56.3 t -62.21 -38.36 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.304 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.95 -53.75 53.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.067 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -58.29 -44.15 88.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.776 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.2 OUTLIER -60.41 -40.49 91.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.966 179.189 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.38 -49.47 77.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.954 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -56.71 -43.79 80.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.76 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.55 -38.36 80.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.996 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.883 HG21 HG13 ' A' ' 448' ' ' ILE . 47.9 t -61.21 -49.73 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.144 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.51 -36.02 75.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.192 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.25 -14.89 52.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.998 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.4 t80 -43.06 121.1 2.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.865 0.364 . . . . 0.0 111.288 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 402' ' ' GLY . 9.9 p -44.71 -43.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.521 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.29 26.7 2.85 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.614 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.2 131.48 18.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -11.3 58.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.545 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.1 m -72.73 -24.34 60.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.732 0.301 . . . . 0.0 110.951 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -74.41 151.23 39.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 26.8 tttt -64.79 -23.67 67.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -51.38 -53.98 31.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.414 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.705 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.9 t80 -57.3 -40.23 77.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.437 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 40.9 m0 -57.03 -63.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.171 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.28 -31.62 71.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.945 HD13 HD11 ' A' ' 452' ' ' LEU . 11.0 mt -53.91 -67.54 0.25 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.71 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 417' ' ' THR . 0.9 OUTLIER -63.14 -35.36 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.994 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -62.74 -64.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.665 ' HB3' HD11 ' A' ' 393' ' ' LEU . 0.0 OUTLIER -56.01 -43.57 77.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.903 HD21 HG23 ' A' ' 448' ' ' ILE . 12.2 tp -60.03 -52.63 64.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 413' ' ' GLU . 15.0 p -54.02 -46.96 71.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -58.59 -42.58 88.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.388 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -58.47 -47.74 83.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.56 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -58.6 -52.65 64.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.677 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.97 -29.74 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.52 -37.5 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 420' ' ' LEU . 0.3 OUTLIER -76.73 -27.21 55.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.05 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.81 -21.16 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 57.6 m -71.83 -18.45 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.317 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.92 HG21 HD11 ' A' ' 383' ' ' ILE . 14.7 p -56.01 140.15 14.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 111.309 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -108.91 121.23 44.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 428' ' ' THR . 3.8 t -123.74 102.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -107.33 28.85 11.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.415 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 117.13 35.03 1.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.454 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -104.28 122.86 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.84 -36.79 72.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 380' ' ' ILE . 0.2 OUTLIER -56.24 -69.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.42 -23.77 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -63.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.266 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -64.04 -40.73 96.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.367 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -62.04 -39.83 93.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.914 ' O ' HG23 ' A' ' 442' ' ' VAL . 8.2 tpt180 -65.17 -56.07 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.538 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.0 -50.24 69.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.78 -36.25 83.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -67.05 -50.89 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.882 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 438' ' ' ARG . 6.4 t -59.72 -40.17 81.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.739 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 51.6 t -64.53 -45.08 88.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.376 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -60.53 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.84 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 1.007 HD13 HD21 ' A' ' 420' ' ' LEU . 2.0 pp -49.84 -47.71 22.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.351 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.614 ' N ' HD12 ' A' ' 445' ' ' ILE . 30.3 tp60 -68.56 -30.87 69.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.09 0.471 . . . . 0.0 109.825 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.03 -46.58 67.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.709 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.903 HG23 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -66.81 -39.19 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.756 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.837 ' CD1' HD23 ' A' ' 416' ' ' LEU . 2.4 tp -64.23 -51.52 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.699 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -42.11 97.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -45.1 94.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.744 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 412' ' ' LEU . 0.8 OUTLIER -63.13 -44.3 95.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.71 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -30.53 60.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.47 25.03 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 378' ' ' PRO . 72.9 Cg_exo -48.87 105.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.621 2.214 . . . . 0.0 112.281 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 377' ' ' PRO . 55.6 Cg_endo -70.14 84.99 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.519 2.146 . . . . 0.0 112.587 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 5.1 m -103.1 7.36 38.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.006 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.678 HD12 HD12 ' A' ' 383' ' ' ILE . 6.8 tp -47.07 -27.72 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.743 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -46.85 -53.06 12.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.32 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.688 ' HD3' HG23 ' A' ' 426' ' ' VAL . 0.6 OUTLIER -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.939 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.835 HD11 HG21 ' A' ' 426' ' ' VAL . 17.7 mt -66.87 -40.5 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.951 0.405 . . . . 0.0 110.582 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 381' ' ' LYS . 17.3 mt -66.82 -42.83 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.237 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.408 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 390' ' ' VAL . 27.4 m -59.54 -38.13 73.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.0 -51.78 67.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.238 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -58.9 -44.67 91.25 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.206 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.553 ' HE2' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.44 -42.13 81.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.079 179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 386' ' ' VAL . 38.6 t -63.87 -39.22 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.221 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -53.36 59.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -56.51 -48.83 76.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.165 0.507 . . . . 0.0 110.116 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.796 HD22 ' HG ' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -59.88 -41.59 91.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.974 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 397' ' ' VAL . 4.8 tt0 -57.74 -40.49 79.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.66 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.53 -55.65 16.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.584 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 393' ' ' LEU . 10.5 pt-20 -62.06 -50.79 70.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.82 HG12 HD13 ' A' ' 412' ' ' LEU . 18.5 m -58.49 -37.25 63.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.821 0.343 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.91 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -80.29 -9.06 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.094 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 412' ' ' LEU . 9.9 t80 -46.46 158.75 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.872 0.368 . . . . 0.0 111.302 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.2 p -73.92 -50.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.53 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 125.36 33.13 0.74 Allowed Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.863 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.816 ' HG2' HG22 ' A' ' 405' ' ' THR . 1.0 OUTLIER -118.05 133.61 55.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 0.0 110.77 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 409' ' ' TYR . 7.4 ptmt -94.57 -21.85 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.499 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . 0.816 HG22 ' HG2' ' A' ' 403' ' ' LYS . 9.2 t -72.94 -29.48 63.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.048 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.61 142.58 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.11 70.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 411' ' ' LEU . . . -51.97 -56.54 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.988 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.814 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.6 t80 -60.39 -31.43 70.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.108 0.48 . . . . 0.0 109.893 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -52.71 63.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.055 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 408' ' ' ALA . 0.3 OUTLIER -65.71 -37.78 87.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.139 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.82 HD13 HG12 ' A' ' 397' ' ' VAL . 19.2 mt -51.44 -68.66 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.02 0.438 . . . . 0.0 110.202 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.5 tt0 -60.34 -40.34 90.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.43 -63.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -36.5 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.044 HD21 HD13 ' A' ' 448' ' ' ILE . 20.6 mt -57.54 -57.94 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.776 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.9 m -57.43 -40.73 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.09 -53.54 56.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.452 ' HG3' HG12 ' A' ' 386' ' ' VAL . 0.3 OUTLIER -60.18 -39.84 87.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 445' ' ' ILE . 8.0 tt -57.93 -52.62 64.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.07 -49.76 76.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -29.98 68.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 383' ' ' ILE . 2.0 tm? -71.6 -52.85 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -22.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.733 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 4.4 m -86.94 38.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.608 0.242 . . . . 0.0 111.364 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 383' ' ' ILE . 9.2 p -96.81 148.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.756 0.312 . . . . 0.0 110.978 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -102.9 122.63 44.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.424 ' HB ' HG11 ' A' ' 434' ' ' VAL . 4.6 t -131.82 -48.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.412 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.57 27.57 61.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.435 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 100.83 50.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -113.51 130.57 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.378 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -58.68 -39.23 80.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.6 m -54.58 -67.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.753 HG13 HD11 ' A' ' 383' ' ' ILE . 52.4 t -61.94 -25.25 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -58.58 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.519 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.21 -43.26 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.661 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -60.83 -39.02 87.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.3 OUTLIER -69.19 -58.86 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -52.61 -49.79 64.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.921 0.391 . . . . 0.0 110.69 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -62.81 -43.09 99.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.45 -48.41 77.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.984 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 438' ' ' ARG . 22.4 t -57.82 -46.4 87.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.33 -45.66 92.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.345 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.95 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.992 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.792 HD12 HD12 ' A' ' 420' ' ' LEU . 27.5 pt -48.38 -44.71 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.458 ' N ' HG13 ' A' ' 445' ' ' ILE . 0.9 OUTLIER -69.79 -34.68 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.01 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.351 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 1.044 HD13 HD21 ' A' ' 416' ' ' LEU . 14.3 tt -62.14 -41.47 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -51.11 71.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.64 -42.98 94.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.56 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -57.56 -44.25 85.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.699 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.814 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.2 mt -64.05 -46.35 84.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.614 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -58.81 -36.66 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -76.65 -32.28 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -32.16 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.603 0.24 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.33 170.71 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.344 2.03 . . . . 0.0 112.127 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.12 59.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.537 2.158 . . . . 0.0 112.398 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.693 ' OG ' HG21 ' A' ' 434' ' ' VAL . 35.0 p -103.34 -51.23 3.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 8.9 tp -55.59 -39.61 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.343 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -52.77 -46.45 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -38.4 90.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.695 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.911 HD12 HG22 ' A' ' 434' ' ' VAL . 52.7 mt -67.28 -46.55 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 385' ' ' HIS . 32.9 pt -63.37 -39.39 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.384 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 384' ' ' ILE . 5.3 m170 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.283 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.929 HG21 HD13 ' A' ' 423' ' ' LEU . 31.3 m -58.72 -33.53 49.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.3 -52.63 64.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.027 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -57.89 -43.61 86.19 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.069 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.4 OUTLIER -57.92 -40.92 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 179.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 386' ' ' VAL . 49.5 t -65.78 -37.73 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.24 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -58.98 -53.44 58.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.993 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.41 -45.91 84.08 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.849 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' ' 389' ' ' LYS . 0.3 OUTLIER -62.45 -34.6 77.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.882 178.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 397' ' ' VAL . 15.8 tt0 -60.56 -47.21 87.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -63.25 -40.32 97.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.754 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -54.89 40.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.728 ' CG1' HD22 ' A' ' 412' ' ' LEU . 28.2 m -58.72 -35.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.435 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -62.66 -40.25 96.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.935 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.57 -12.76 50.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.993 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.7 t80 -46.4 129.05 10.52 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.844 0.354 . . . . 0.0 110.977 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 402' ' ' GLY . 8.6 p -46.07 -47.25 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.584 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.502 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.62 22.68 3.29 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.875 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.12 125.01 11.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.792 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.84 64.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 1.5 m -131.92 -31.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.311 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.68 161.42 18.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.7 OUTLIER -59.63 -20.5 56.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.97 -57.83 9.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.307 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.721 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.2 t80 -58.18 -36.45 73.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.0 m0 -56.97 -64.69 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.176 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.9 pp -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.335 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.728 HD22 ' CG1' ' A' ' 397' ' ' VAL . 12.6 mt -56.47 -68.91 0.17 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.455 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.31 -54.72 43.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.667 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.476 ' CG ' HD11 ' A' ' 393' ' ' LEU . 22.3 tpp -58.92 -40.63 85.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.568 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.931 ' HG ' HD13 ' A' ' 449' ' ' LEU . 0.0 OUTLIER -58.8 -46.91 86.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 6.5 m -60.59 -51.01 71.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -55.24 -46.07 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.713 ' OE1' HG22 ' A' ' 390' ' ' VAL . 1.4 tt0 -60.25 -43.01 96.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.73 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 420' ' ' LEU . 7.8 tt -59.85 -44.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.666 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -45.88 91.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.69 -44.6 93.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.929 HD13 HG21 ' A' ' 386' ' ' VAL . 17.7 tp -62.95 -44.09 97.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.04 -20.24 37.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.409 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 60.2 p -94.38 38.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.262 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.641 HG23 ' HA ' ' A' ' 379' ' ' SER . 14.5 p -103.73 140.08 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.98 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -98.3 73.84 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.455 ' HB ' HG11 ' A' ' 434' ' ' VAL . 2.5 t -53.11 -45.68 68.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 59.32 27.32 62.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.562 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.77 64.19 2.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.81 128.94 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -58.7 -48.45 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 1.7 m -56.04 -55.47 32.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.911 HG22 HD12 ' A' ' 383' ' ' ILE . 2.2 t -65.76 -29.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -55.36 35.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.253 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.97 -40.33 91.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.242 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.868 ' HB1' HG21 ' A' ' 383' ' ' ILE . . . -64.49 -32.39 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.626 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -54.61 10.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.565 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 442' ' ' VAL . 14.3 mttt -58.4 -47.71 83.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.462 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -63.75 -39.39 94.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 437' ' ' ALA . . . -61.48 -54.51 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.85 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 445' ' ' ILE . 12.9 p -60.23 -36.36 67.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.58 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 22.3 t -64.12 -39.03 93.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.971 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.564 ' HG2' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -64.46 -55.19 22.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.796 179.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.599 HG22 ' OE1' ' A' ' 419' ' ' GLU . 17.7 pt -53.75 -44.96 60.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 CA-C-O 121.002 0.43 . . . . 0.0 110.58 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 445' ' ' ILE . 1.8 mm100 -71.41 -30.85 66.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.76 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.27 -49.32 57.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.757 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.745 HG21 HD21 ' A' ' 416' ' ' LEU . 17.8 tt -64.59 -46.72 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.009 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.931 HD13 ' HG ' ' A' ' 416' ' ' LEU . 4.0 tp -63.04 -41.53 99.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.01 -49.98 75.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.309 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -38.79 82.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.396 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 409' ' ' TYR . 2.8 mt -59.49 -52.3 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -43.62 91.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.29 -34.98 77.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -101.31 25.15 8.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.436 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.373 0.13 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.87 108.74 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.392 2.061 . . . . 0.0 112.082 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -88.1 125.89 1.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.725 2.283 . . . . 0.0 112.876 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 22.8 t -90.0 7.45 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.576 HG12 HD11 ' A' ' 384' ' ' ILE . 2.0 tt -44.71 -27.76 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.662 ' HA ' HD12 ' A' ' 384' ' ' ILE . 3.1 tmtm? -44.97 -56.4 4.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -62.6 -34.74 77.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.618 HG21 ' CB ' ' A' ' 437' ' ' ALA . 28.7 mm -65.82 -40.45 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 381' ' ' LYS . 7.0 mt -66.73 -43.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.291 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -57.86 -52.12 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.349 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.877 ' O ' HG23 ' A' ' 390' ' ' VAL . 26.9 m -61.54 -37.72 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -56.38 -55.81 28.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -42.55 90.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.126 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.405 ' CE ' ' CD1' ' A' ' 393' ' ' LEU . 1.2 tmtp? -58.5 -43.05 88.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.352 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 386' ' ' VAL . 48.7 t -64.45 -39.87 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.16 -53.09 62.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.346 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -57.19 -54.22 49.29 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.0 OUTLIER -56.17 -39.77 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.36 -47.41 78.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -46.81 87.45 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.772 178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -59.12 -36.65 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.866 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 393' ' ' LEU . 57.8 t -61.81 -48.37 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.168 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.52 -37.1 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.22 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -83.75 -13.36 54.12 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.201 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 90.6 t80 -44.57 130.3 6.8 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.878 0.371 . . . . 0.0 111.158 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.48 HG13 ' H ' ' A' ' 403' ' ' LYS . 6.0 p -45.51 -47.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.371 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 119.14 19.51 4.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.48 ' H ' HG13 ' A' ' 401' ' ' VAL . 3.5 ttmm -148.14 131.28 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.956 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 61.79 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 9.9 t -127.19 -31.21 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -85.58 161.54 19.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.474 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.3 mptp? -61.15 -20.81 63.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.4 -66.59 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.463 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.706 ' CE1' HD22 ' A' ' 452' ' ' LEU . 6.3 t80 -50.17 -40.67 47.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.8 m0 -53.82 -65.32 0.59 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.33 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.425 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 452' ' ' LEU . 11.8 mt -51.58 -71.68 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.477 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.34 -36.18 82.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -58.96 -65.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.701 ' HE2' HD11 ' A' ' 393' ' ' LEU . 27.3 mtp -58.56 -42.4 87.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.985 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 448' ' ' ILE . 18.2 tp -59.59 -52.29 66.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -57.59 -45.48 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -56.9 -57.05 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.818 ' OE1' HG12 ' A' ' 386' ' ' VAL . 3.9 mm-40 -56.5 -37.47 70.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 445' ' ' ILE . 0.6 OUTLIER -61.74 -49.1 77.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.661 179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.96 -50.63 73.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.42 -30.01 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.703 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 386' ' ' VAL . 13.5 tp -64.08 -50.82 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.16 -22.03 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.643 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 24.0 p -89.9 38.15 0.91 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.504 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.608 HG21 HD11 ' A' ' 383' ' ' ILE . 7.9 p -86.77 155.1 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.979 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.7 OUTLIER -103.05 113.75 27.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 429' ' ' GLY . 3.4 t -126.68 -49.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 428' ' ' THR . . . 56.29 28.07 54.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.505 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 99.88 28.37 7.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 126.2 35.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.94 -37.55 74.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -69.08 0.15 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.4 -25.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -62.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.459 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.06 -43.07 96.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.545 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.618 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.65 -34.45 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 442' ' ' VAL . 22.2 ttt-85 -69.9 -56.66 6.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -52.96 -48.35 67.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.01 0.433 . . . . 0.0 110.377 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.08 -46.87 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 438' ' ' ARG . 38.6 t -58.63 -41.42 82.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.779 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 6.1 m -62.84 -50.09 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -60.28 -62.06 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.045 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 420' ' ' LEU . 2.6 pp -48.23 -47.1 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-O 120.809 0.337 . . . . 0.0 110.767 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.732 ' N ' HD12 ' A' ' 445' ' ' ILE . 1.9 tt0 -68.29 -30.79 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 0.0 109.817 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -68.32 -51.33 45.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.5 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 416' ' ' LEU . 9.6 tt -62.84 -39.81 86.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.569 ' CD1' HD23 ' A' ' 416' ' ' LEU . 4.3 tp -63.51 -47.45 81.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.31 -40.31 93.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -61.47 -48.35 81.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.754 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 412' ' ' LEU . 15.2 mt -61.26 -42.93 99.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.45 -38.3 90.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.85 -44.38 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -73.46 -34.59 65.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.468 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.425 HG22 ' NE2' ' A' ' 431' ' ' GLN . 1.5 m . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.438 0.161 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.28 109.89 1.08 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.44 2.093 . . . . 0.0 112.056 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -84.72 143.53 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.61 2.207 . . . . 0.0 112.814 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 426' ' ' VAL . 2.9 m -89.71 7.5 36.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.946 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 383' ' ' ILE . 1.0 OUTLIER -37.8 -33.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 384' ' ' ILE . 23.5 tttp -46.62 -36.94 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.017 0.437 . . . . 0.0 110.769 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 386' ' ' VAL . 0.0 OUTLIER -67.8 -54.08 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.043 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.941 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -58.64 -30.19 41.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 381' ' ' LYS . 26.3 mt -70.0 -53.29 24.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.321 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.52 -52.53 59.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.344 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.864 ' O ' HG23 ' A' ' 390' ' ' VAL . 35.4 m -61.7 -37.48 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.403 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 383' ' ' ILE . 0.7 OUTLIER -54.21 -51.37 64.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.298 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.99 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -48.08 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 386' ' ' VAL . 46.3 t -60.74 -41.62 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.343 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -54.27 -53.63 51.07 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.084 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -57.07 -44.27 82.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.786 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 397' ' ' VAL . 0.3 OUTLIER -59.16 -43.29 92.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.123 179.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.6 ' CG ' HD12 ' A' ' 448' ' ' ILE . 24.7 mt-10 -56.7 -48.24 78.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.017 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.28 -45.49 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.051 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.96 -45.8 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 393' ' ' LEU . 28.2 t -54.27 -46.14 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.7 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.43 -40.87 98.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.368 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -80.3 -8.85 59.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.253 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 61.4 t80 -43.36 138.84 2.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 111.284 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -50.38 -47.22 26.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.556 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 137.4 -43.46 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.678 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.407 ' HB3' HG22 ' A' ' 405' ' ' THR . 0.8 OUTLIER -104.2 143.22 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.754 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 59.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.217 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 403' ' ' LYS . 10.9 t -134.51 -0.07 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.5 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -104.19 161.2 14.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.12 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.86 ' CE1' HD11 ' A' ' 452' ' ' LEU . 13.9 t80 -45.92 -39.01 8.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 29.5 m0 -60.47 -64.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.073 0.463 . . . . 0.0 110.067 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 412' ' ' LEU . 3.8 pp -60.0 -25.38 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.545 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 411' ' ' LEU . 12.3 mt -62.96 -55.16 28.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.74 -50.12 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.548 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 411' ' ' LEU . 11.9 pt-20 -54.89 -47.7 73.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.598 ' CG ' HD11 ' A' ' 393' ' ' LEU . 5.0 tpp -65.25 -44.36 88.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.704 ' HG ' HD22 ' A' ' 393' ' ' LEU . 33.9 mt -60.09 -49.22 78.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.8 p -58.98 -44.19 91.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.609 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -58.57 -46.34 87.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -50.56 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.707 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.78 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.66 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.93 -28.91 58.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' A' ' 441' ' ' ALA . 9.4 tp -65.39 -39.49 92.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.1 -7.99 52.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.504 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 38.09 1.09 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.669 0.271 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.5 p -113.09 155.11 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 426' ' ' VAL . 14.5 pt-20 -104.85 128.43 53.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 428' ' ' THR . 6.6 t -145.49 89.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -118.63 65.64 0.39 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 108.22 -26.44 16.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . 0.425 ' NE2' HG22 ' A' ' 376' ' ' THR . 15.5 mt-30 -59.14 108.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.17 -31.62 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 2.8 m -60.84 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . . . . . . . . . 14.3 t -58.29 -28.61 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -60.69 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.359 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -58.11 -42.12 85.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.398 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.941 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.71 -38.0 89.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.67 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.4 tpt180 -60.86 -53.62 55.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -59.73 -47.16 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.54 -41.08 89.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.53 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 423' ' ' LEU . . . -62.22 -45.16 94.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.775 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 438' ' ' ARG . 33.5 t -61.5 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 5.5 t -62.35 -45.7 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -62.78 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.1 pp -48.37 -47.16 14.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.641 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -69.61 -32.13 70.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.078 0.466 . . . . 0.0 109.901 179.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.24 -51.0 58.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.654 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 394' ' ' GLU . 15.7 tt -64.49 -39.36 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.777 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 445' ' ' ILE . 2.1 mp -61.42 -49.87 75.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.432 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.4 -40.21 95.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.627 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.86 HD11 ' CE1' ' A' ' 409' ' ' TYR . 2.7 tm? -64.99 -40.64 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.53 -41.8 95.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -33.94 62.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.48 25.1 5.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.478 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.715 0.293 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.5 106.53 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.645 2.23 . . . . 0.0 112.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -91.5 158.75 3.62 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.879 2.386 . . . . 0.0 112.768 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.591 ' HB3' HG23 ' A' ' 426' ' ' VAL . 0.3 OUTLIER -88.91 7.82 32.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.965 179.464 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.597 HG12 HD11 ' A' ' 384' ' ' ILE . 0.6 OUTLIER -38.09 -32.32 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -60.12 -48.57 81.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.42 . . . . 0.0 110.621 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -54.4 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.962 HD11 ' HB3' ' A' ' 441' ' ' ALA . 8.9 tp -56.56 -37.13 50.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.597 HD11 HG12 ' A' ' 380' ' ' ILE . 50.5 mt -64.6 -48.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.996 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -54.25 44.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.03 0.443 . . . . 0.0 110.409 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.81 HG23 ' HB2' ' A' ' 419' ' ' GLU . 7.2 p -59.73 -33.72 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.208 179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.451 ' O ' HD13 ' A' ' 387' ' ' LEU . 0.3 OUTLIER -58.51 -51.09 71.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.04 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.438 ' HG2' ' CE2' ' A' ' 392' ' ' TYR . 0.8 OUTLIER -60.0 -45.85 91.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.867 179.162 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -44.29 78.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 386' ' ' VAL . 82.1 t -65.21 -33.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.059 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -53.73 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.835 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 388' ' ' GLU . 21.3 m-85 -58.84 -44.54 90.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.678 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.772 HD11 ' CG ' ' A' ' 415' ' ' MET . 0.3 OUTLIER -61.05 -37.78 83.84 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.938 179.005 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 397' ' ' VAL . 2.4 mm-40 -60.58 -45.11 95.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.938 179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -42.74 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.972 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.78 -59.22 5.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.502 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.4 p -52.4 -37.94 24.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 110.678 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -89.2 -1.94 58.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 67.4 t80 -43.34 135.11 3.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.799 0.333 . . . . 0.0 111.386 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 4.5 p -52.2 -44.95 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.503 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . 134.16 -31.76 2.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.873 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -109.63 140.47 43.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 57.65 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 2.5 t -124.42 -31.04 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.2 161.5 25.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -21.9 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.419 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.29 -62.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.665 ' CE1' HD22 ' A' ' 452' ' ' LEU . 20.4 t80 -58.21 -30.76 66.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -65.12 0.7 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.303 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -26.38 68.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.378 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.793 HD13 HD11 ' A' ' 452' ' ' LEU . 11.4 mt -57.41 -61.46 2.47 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.333 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.75 -44.89 88.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.33 -55.94 28.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.772 ' CG ' HD11 ' A' ' 393' ' ' LEU . 30.0 tpp -59.17 -38.92 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.814 HD21 HD13 ' A' ' 448' ' ' ILE . 16.8 mt -63.15 -44.88 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -44.62 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.687 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -59.55 -55.94 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.81 ' HB2' HG23 ' A' ' 386' ' ' VAL . 24.0 pt-20 -56.52 -39.49 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.53 -52.66 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.31 -40.23 81.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.727 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.77 -43.15 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 423' ' ' LEU . 1.6 tt -65.97 -38.96 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.783 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.87 -24.59 9.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.279 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.4 m -95.59 38.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.222 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.591 HG23 ' HB3' ' A' ' 379' ' ' SER . 11.9 p -84.15 136.25 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -108.3 72.34 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 429' ' ' GLY . 8.3 t -68.19 -47.67 67.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 428' ' ' THR . . . 58.36 40.18 93.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.565 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.35 64.28 3.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.547 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -126.0 136.29 52.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.58 -44.57 90.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 40.2 p -59.04 -56.77 17.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.442 HG21 ' H ' ' A' ' 379' ' ' SER . 40.4 t -61.96 -31.94 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.844 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -61.2 -52.33 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.511 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.15 -50.34 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -61.28 -40.3 93.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.869 ' O ' HG23 ' A' ' 442' ' ' VAL . 64.5 ttt180 -60.53 -62.34 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.761 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -43.5 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.19 -53.35 58.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.962 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -59.27 -46.51 88.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.1 t -58.05 -39.12 70.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.686 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.9 OUTLIER -65.31 -45.4 84.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.366 179.444 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -62.64 -59.34 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.031 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.616 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -51.11 -48.5 30.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.822 0.344 . . . . 0.0 110.725 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.616 ' N ' HD12 ' A' ' 445' ' ' ILE . 6.1 tt0 -67.62 -31.54 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.02 -49.65 64.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.615 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.814 HD13 HD21 ' A' ' 416' ' ' LEU . 14.1 tt -64.42 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.555 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.568 HD12 HD13 ' A' ' 416' ' ' LEU . 1.0 OUTLIER -60.67 -55.34 34.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.546 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.36 -36.75 78.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -59.69 -46.2 89.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.523 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.793 HD11 HD13 ' A' ' 412' ' ' LEU . 8.4 mt -65.32 -45.77 82.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -60.56 -32.61 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.99 -48.3 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -67.01 -34.97 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.28 -1.289 . . . . 0.0 112.551 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.534 0.207 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.74 106.72 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.626 2.217 . . . . 0.0 112.148 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.08 96.82 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.597 2.198 . . . . 0.0 112.388 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 28.5 m -102.93 7.51 39.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.979 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.468 HD11 HD11 ' A' ' 383' ' ' ILE . 0.7 OUTLIER -41.44 -31.5 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.815 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 384' ' ' ILE . 13.2 mtmt -45.74 -30.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.957 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.1 OUTLIER -69.27 -54.54 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.021 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.894 HD13 ' HB1' ' A' ' 437' ' ' ALA . 1.0 OUTLIER -60.98 -28.52 43.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 381' ' ' LYS . 21.1 mt -71.62 -55.38 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.511 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -55.85 -42.05 75.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.338 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 382' ' ' LYS . 32.2 t -66.39 -43.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.602 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.78 HD21 ' OE2' ' A' ' 440' ' ' GLU . 13.6 mt -54.42 -50.61 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.631 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 392' ' ' TYR . 0.1 OUTLIER -61.94 -51.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 179.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.51 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.1 OUTLIER -57.11 -53.73 54.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.675 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.8 t -58.05 -33.21 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -61.42 -58.19 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.037 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 388' ' ' GLU . 7.7 m-85 -59.19 -47.94 83.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.881 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.875 HD11 ' HB3' ' A' ' 415' ' ' MET . 0.2 OUTLIER -58.66 -35.92 73.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.242 179.353 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 397' ' ' VAL . 11.4 mt-10 -61.79 -53.32 57.51 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.02 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.22 -40.41 74.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.397 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.77 HG12 HD13 ' A' ' 412' ' ' LEU . 33.8 m -52.06 -32.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.885 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -73.46 -34.66 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.66 2.48 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.494 ' CE1' HG12 ' A' ' 401' ' ' VAL . 59.4 t80 -45.19 147.16 0.77 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.494 HG12 ' CE1' ' A' ' 400' ' ' PHE . 3.1 p -47.36 -53.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.719 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.471 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 139.27 -33.26 2.18 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.772 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.73 129.62 55.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.709 0.29 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -68.82 62.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.7 t -135.79 -1.52 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.429 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -104.2 161.46 14.01 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.755 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.458 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 1.5 mptm? -60.1 -27.12 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -51.33 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.423 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.846 ' CE1' HD11 ' A' ' 452' ' ' LEU . 0.2 OUTLIER -47.65 -42.58 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.968 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 36.5 m0 -53.83 -64.72 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.968 0.413 . . . . 0.0 110.407 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.719 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.77 HD13 HG12 ' A' ' 397' ' ' VAL . 11.7 mt -58.25 -69.24 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -60.8 -43.29 98.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.93 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -53.75 -61.28 2.4 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 393' ' ' LEU . 14.9 tpp -57.91 -34.42 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.457 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.809 HD21 HD13 ' A' ' 448' ' ' ILE . 0.1 OUTLIER -58.22 -56.64 19.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 1.6 p -58.25 -45.16 88.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -58.22 -45.5 87.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.29 -45.37 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.719 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.9 -48.75 78.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.71 -44.01 90.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.21 -28.83 68.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 386' ' ' VAL . 12.3 tp -72.37 -41.32 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.04 -14.32 60.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.436 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.3 m -71.83 -17.15 62.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.487 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.49 HG21 HG13 ' A' ' 434' ' ' VAL . 14.4 p -54.56 155.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.798 0.332 . . . . 0.0 111.216 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 428' ' ' THR . 0.0 OUTLIER -67.1 -69.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.524 ' HB ' HG12 ' A' ' 434' ' ' VAL . 9.9 t 44.95 42.27 6.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.363 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.61 28.51 13.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 139.74 43.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.76 119.87 14.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.12 -39.0 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 t -61.71 -59.91 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.524 HG12 ' HB ' ' A' ' 428' ' ' THR . 22.0 t -57.53 -38.61 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.68 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -57.46 -48.55 78.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.323 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.894 ' HB1' HD13 ' A' ' 383' ' ' ILE . . . -64.09 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.565 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 442' ' ' VAL . 16.3 tpt180 -60.19 -55.16 37.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.436 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -60.23 -46.46 89.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.226 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . 0.78 ' OE2' HD21 ' A' ' 387' ' ' LEU . 7.6 tt0 -59.68 -41.52 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 423' ' ' LEU . . . -62.89 -42.27 99.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.667 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.2 t -63.43 -40.77 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 1.6 m -64.09 -44.98 90.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.386 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -62.89 -60.65 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.0 pp -49.69 -48.49 20.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.606 ' N ' HD12 ' A' ' 445' ' ' ILE . 2.3 tp-100 -67.4 -34.27 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.117 0.484 . . . . 0.0 109.741 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -64.55 -51.91 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.406 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.809 HD13 HD21 ' A' ' 416' ' ' LEU . 11.8 tt -62.86 -36.23 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.575 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.802 HD12 ' HG ' ' A' ' 416' ' ' LEU . 0.4 OUTLIER -62.97 -45.91 90.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.434 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 453' ' ' GLU . 36.6 tt0 -65.62 -39.73 91.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -69.55 -35.92 75.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.846 HD11 ' CE1' ' A' ' 409' ' ' TYR . 0.9 OUTLIER -72.02 -42.15 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 450' ' ' GLU . 12.7 pt-20 -68.54 -43.88 75.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -36.38 73.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.754 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.37 70.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.538 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.856 HG21 ' CG2' ' A' ' 434' ' ' VAL . 12.6 t . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.941 0.401 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.539 ' HA ' HG22 ' A' ' 380' ' ' ILE . 49.1 Cg_exo -56.06 -45.95 34.65 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.854 2.369 . . . . 0.0 113.593 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 377' ' ' PRO . 53.7 Cg_endo -71.14 -21.09 27.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.113 1.875 . . . . 0.0 113.333 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.13 -27.83 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.648 0.261 . . . . 0.0 111.31 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 376' ' ' THR . 0.5 OUTLIER -75.13 -32.61 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -37.48 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.892 ' O ' HG23 ' A' ' 386' ' ' VAL . 0.8 OUTLIER -66.71 -59.17 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.997 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.597 ' HB ' ' HB1' ' A' ' 437' ' ' ALA . 1.8 pp -56.29 -41.5 70.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.193 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.556 HD11 ' CG1' ' A' ' 380' ' ' ILE . 76.6 mt -61.26 -51.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.884 0.373 . . . . 0.0 110.306 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -56.11 -38.65 71.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.286 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.95 HG21 HD13 ' A' ' 423' ' ' LEU . 21.4 t -64.97 -42.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.94 -49.97 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.65 -44.32 93.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.638 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.2 OUTLIER -56.23 -46.28 79.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.412 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.779 HG11 ' CG ' ' A' ' 444' ' ' LYS . 56.0 t -63.95 -38.22 81.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.358 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -55.98 -58.67 6.9 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.948 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.42 -42.88 92.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.914 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.757 HD22 HD23 ' A' ' 416' ' ' LEU . 0.4 OUTLIER -55.93 -62.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.198 179.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 448' ' ' ILE . 1.6 tm-20 -46.08 -44.7 15.73 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.469 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -46.19 77.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.955 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . 0.615 ' HB2' HD21 ' A' ' 412' ' ' LEU . 2.1 mt-10 -61.48 -37.01 82.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.636 HG13 ' HG ' ' A' ' 452' ' ' LEU . 61.5 t -59.73 -47.53 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.254 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.13 -42.26 99.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.318 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.15 -11.9 59.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.212 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -46.26 123.53 4.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.9 0.381 . . . . 0.0 111.252 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 403' ' ' LYS . 7.1 p -45.49 -42.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.426 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 116.63 18.61 5.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.727 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.489 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.5 OUTLIER -148.14 147.98 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.443 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 1.1 tttm -84.94 54.12 2.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.0 m -127.17 -31.19 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.96 174.95 11.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.49 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -77.43 -16.47 58.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . . . . . . . . . . . -50.44 -66.12 0.44 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.383 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.75 ' HA ' HD12 ' A' ' 412' ' ' LEU . 0.7 OUTLIER -49.52 -41.24 40.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.302 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.49 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 44.9 m0 -54.46 -65.12 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 110.411 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.488 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 452' ' ' LEU . 18.4 mt -53.61 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 417' ' ' THR . 10.1 mt-10 -60.84 -44.68 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -57.16 -44.23 83.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.425 ' HB2' HD21 ' A' ' 393' ' ' LEU . 15.1 mtt -64.88 -55.63 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 448' ' ' ILE . 0.6 OUTLIER -59.15 -41.76 89.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.095 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 413' ' ' GLU . 23.2 p -59.85 -51.66 68.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.886 0.375 . . . . 0.0 110.579 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -55.75 -45.71 78.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.688 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.752 ' HG3' HG13 ' A' ' 386' ' ' VAL . 5.7 tp10 -60.43 -38.53 84.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 1.101 HD11 HD13 ' A' ' 445' ' ' ILE . 0.2 OUTLIER -61.63 -51.63 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 11.3 tp -57.24 -46.08 83.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.789 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.93 -27.59 62.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.755 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.95 HD13 HG21 ' A' ' 386' ' ' VAL . 57.3 tp -65.31 -52.55 53.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.42 -21.75 27.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.38 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -20.22 61.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.448 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.2 p -56.6 131.79 20.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -107.35 82.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.1 t -64.99 -50.06 67.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.44 ' N ' HG23 ' A' ' 428' ' ' THR . . . 93.14 -26.96 12.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.556 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 140.2 44.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.406 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -102.55 137.8 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.794 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.57 -43.74 84.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 64.4 p -62.55 -55.73 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.856 ' CG2' HG21 ' A' ' 376' ' ' THR . 20.4 t -58.75 -39.52 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -50.79 72.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -58.57 -44.8 89.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.459 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.597 ' HB1' ' HB ' ' A' ' 383' ' ' ILE . . . -61.07 -35.76 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.678 ' O ' HG23 ' A' ' 442' ' ' VAL . 3.0 tpt180 -65.05 -54.84 23.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.527 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -59.24 -50.03 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -57.9 -36.09 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.95 86.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 438' ' ' ARG . 32.8 t -61.62 -43.02 96.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 0.5 OUTLIER -64.71 -42.35 95.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.433 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.779 ' CG ' HG11 ' A' ' 390' ' ' VAL . 0.0 OUTLIER -63.78 -60.52 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.024 179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 1.101 HD13 HD11 ' A' ' 420' ' ' LEU . 2.5 pp -51.6 -45.32 35.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.951 0.405 . . . . 0.0 110.405 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.698 ' N ' HD12 ' A' ' 445' ' ' ILE . 3.5 tp60 -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.748 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -69.28 -51.54 36.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.254 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.823 HD12 ' N ' ' A' ' 449' ' ' LEU . 2.8 pp -66.12 -44.87 91.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.562 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.823 ' N ' HD12 ' A' ' 448' ' ' ILE . 4.2 pp -66.77 -39.32 87.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.554 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.791 ' N ' HD12 ' A' ' 449' ' ' LEU . 0.6 OUTLIER -61.86 -48.51 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 109.952 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -37.67 84.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.158 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 412' ' ' LEU . 3.6 mt -59.15 -53.19 61.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.584 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -38.15 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.696 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -63.79 -37.26 86.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -85.63 -35.01 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.46 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.755 0.312 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.62 172.47 13.41 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.569 2.179 . . . . 0.0 112.238 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.48 70.27 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.57 2.18 . . . . 0.0 112.218 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.674 ' OG ' HG22 ' A' ' 426' ' ' VAL . 34.4 t -103.15 -28.64 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.068 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.77 ' O ' HG23 ' A' ' 384' ' ' ILE . 7.5 tt -71.16 -25.8 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.414 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -64.75 -37.48 87.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.932 0.396 . . . . 0.0 111.042 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -50.62 38.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.9 HD13 ' CB ' ' A' ' 437' ' ' ALA . 1.1 pt -63.11 -36.64 76.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.77 HG23 ' O ' ' A' ' 380' ' ' ILE . 26.5 pt -71.69 -41.44 70.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.863 0.363 . . . . 0.0 110.246 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . 0.442 ' N ' HG13 ' A' ' 384' ' ' ILE . 2.2 m-70 -58.1 -47.94 81.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.985 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.847 HG23 ' HG2' ' A' ' 419' ' ' GLU . 7.1 p -65.94 -38.33 81.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.343 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 387' ' ' LEU . 13.7 mt -52.96 -57.19 11.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.951 0.405 . . . . 0.0 110.212 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.01 -42.71 98.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.038 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -45.7 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.24 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 386' ' ' VAL . 69.3 t -62.15 -40.75 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.232 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.32 -53.63 53.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 109.979 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -57.81 -44.69 86.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.797 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.5 OUTLIER -60.97 -35.81 77.75 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.837 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 397' ' ' VAL . 3.5 tp10 -60.85 -47.21 87.42 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.779 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.41 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.98 178.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.464 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 394' ' ' GLU . 7.3 p -51.19 -36.72 16.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.572 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.84 -44.37 96.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -87.98 -1.15 57.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.199 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 56.3 t80 -42.05 139.34 1.36 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.415 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.7 p -48.3 -47.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.445 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 135.03 -43.93 1.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.592 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.84 159.21 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.421 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 37.6 tttt -79.25 59.61 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.0 t -123.86 -31.18 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -83.85 156.33 22.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.005 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 410' ' ' TRP . 0.1 OUTLIER -62.4 -19.38 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -48.04 -66.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.847 0.355 . . . . 0.0 111.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 452' ' ' LEU . 8.3 t80 -47.54 -37.84 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.374 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CD2' ' HA ' ' A' ' 407' ' ' LYS . 47.7 m0 -58.43 -60.7 3.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 110.486 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 408' ' ' ALA . 0.9 OUTLIER -65.44 -26.39 67.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.926 HD13 HD21 ' A' ' 452' ' ' LEU . 11.6 mt -59.9 -67.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.255 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 416' ' ' LEU . 1.8 tt0 -60.66 -41.77 95.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.852 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.31 -54.71 43.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.788 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.697 ' HG2' HD11 ' A' ' 393' ' ' LEU . 3.3 ttm -58.64 -40.28 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 449' ' ' LEU . 12.3 mt -59.54 -51.92 67.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.756 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 41.7 p -56.82 -48.23 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.646 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -56.44 -42.1 77.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.847 ' HG2' HG23 ' A' ' 386' ' ' VAL . 2.9 mt-10 -59.63 -51.51 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.527 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.65 -48.37 69.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 8.7 tp -60.14 -37.26 79.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.59 -41.96 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.714 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.866 ' O ' HG12 ' A' ' 426' ' ' VAL . 4.3 mm? -67.64 -38.67 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.068 0.461 . . . . 0.0 110.329 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.85 -19.33 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.349 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.5 m -94.39 -21.34 19.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.699 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 423' ' ' LEU . 9.8 p -53.02 144.63 3.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.774 0.321 . . . . 0.0 111.357 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.73 82.82 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.14 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 3.8 t -100.27 30.61 3.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.824 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -83.85 79.86 1.88 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.53 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 94.6 66.05 1.01 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 105.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.03 -33.94 71.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.58 -60.9 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.598 HG11 ' OG ' ' A' ' 379' ' ' SER . 16.5 t -59.41 -34.75 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -52.37 65.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.395 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.9 ' CB ' HD13 ' A' ' 383' ' ' ILE . . . -61.2 -34.11 74.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.583 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 442' ' ' VAL . 0.1 OUTLIER -61.36 -55.06 35.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.289 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -45.05 86.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.209 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -59.95 -45.52 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.19 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.14 98.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.513 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.7 t -61.32 -39.61 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 57.3 m -65.39 -44.69 86.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.242 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.559 ' HB3' HG11 ' A' ' 390' ' ' VAL . 11.9 mttp -63.9 -59.81 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.815 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 446' ' ' GLN . 2.6 pp -51.07 -46.29 30.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.934 0.397 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.724 ' N ' HD12 ' A' ' 445' ' ' ILE . 61.2 tt0 -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.701 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -67.25 -54.06 24.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.415 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 416' ' ' LEU . 13.9 tt -60.37 -40.84 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.512 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 416' ' ' LEU . 0.9 OUTLIER -60.35 -49.63 76.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.501 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.64 -46.15 84.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.542 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.94 -37.96 81.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.926 HD21 HD13 ' A' ' 412' ' ' LEU . 8.6 mt -62.9 -51.83 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.14 -37.2 79.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.65 47.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.38 -34.92 75.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.673 0.273 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.54 179.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.395 2.064 . . . . 0.0 112.139 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.09 57.75 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.829 2.353 . . . . 0.0 112.434 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.881 ' HB2' HG11 ' A' ' 434' ' ' VAL . 33.7 p -103.39 -45.05 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.989 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.605 ' HB ' HG22 ' A' ' 434' ' ' VAL . 1.5 tp -69.12 -45.4 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.256 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.479 ' N ' HG23 ' A' ' 380' ' ' ILE . 68.7 tttt -42.57 -53.77 4.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.342 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.687 ' O ' HG22 ' A' ' 386' ' ' VAL . 2.3 mtpt -63.31 -31.39 72.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.847 HD11 ' CA ' ' A' ' 438' ' ' ARG . 0.0 OUTLIER -71.24 -36.0 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.755 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.92 -45.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.358 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -52.55 63.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.591 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 1.061 HG21 HD12 ' A' ' 423' ' ' LEU . 27.5 m -59.62 -43.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 383' ' ' ILE . 0.8 OUTLIER -57.16 -49.89 74.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.886 0.374 . . . . 0.0 110.58 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -45.4 87.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 393' ' ' LEU . 0.3 OUTLIER -56.3 -42.37 77.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.393 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 386' ' ' VAL . 47.3 t -65.66 -38.7 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.02 -56.32 23.56 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.291 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -56.12 -51.05 69.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.066 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 1.06 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -56.34 -41.73 76.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.084 179.124 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -55.76 -45.42 78.1 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.729 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -58.84 -46.25 88.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.7 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.9 -38.7 76.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.002 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.785 HG21 HG13 ' A' ' 448' ' ' ILE . 43.3 t -63.35 -43.68 98.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.371 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.67 -42.52 97.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.95 -14.16 54.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.164 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 85.2 t80 -48.44 122.86 5.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 110.666 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 402' ' ' GLY . 10.9 p -42.13 -46.09 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.689 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 117.39 22.87 3.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.712 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.403 ' H ' HG13 ' A' ' 401' ' ' VAL . 0.0 OUTLIER -148.16 142.31 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.019 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -82.16 56.34 3.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 3.6 t -121.6 -31.1 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -88.22 162.52 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.46 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.0 OUTLIER -66.84 -17.48 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.303 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -53.03 -54.11 40.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.714 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.5 t80 -58.43 -37.58 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.46 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 49.7 m0 -58.77 -64.03 1.08 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.089 0.471 . . . . 0.0 110.103 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -58.79 -30.81 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.344 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 452' ' ' LEU . 14.2 mt -58.85 -65.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.806 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -61.78 -55.09 33.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.974 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 411' ' ' LEU . 2.8 pp20? -51.81 -43.92 63.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.616 0.246 . . . . 0.0 111.527 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.687 ' CG ' HD11 ' A' ' 393' ' ' LEU . 40.3 ttm -65.16 -45.11 86.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.06 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -60.96 -45.21 95.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 17.0 p -59.74 -49.63 76.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -57.5 -46.1 84.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.63 81.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.777 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.848 ' HG ' HG21 ' A' ' 445' ' ' ILE . 1.0 OUTLIER -59.13 -45.46 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.719 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mt -58.29 -45.3 88.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.44 -31.12 63.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 386' ' ' VAL . 5.5 tt -66.43 -39.07 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -58.74 -19.96 44.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.302 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 6.1 t -71.93 -20.54 61.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.392 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 423' ' ' LEU . 13.9 p -56.93 139.34 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.808 0.337 . . . . 0.0 111.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.0 -74.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.647 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.859 HG23 HG12 ' A' ' 434' ' ' VAL . 0.7 OUTLIER 56.06 80.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -145.05 85.85 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 111.86 -40.3 2.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.2 113.55 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -62.85 -40.89 98.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.1 m -59.62 -55.0 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 379' ' ' SER . 38.2 t -59.97 -39.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.0 -48.29 80.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.583 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -62.45 -44.73 95.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.356 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.62 ' CB ' HG21 ' A' ' 383' ' ' ILE . . . -62.62 -47.17 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 442' ' ' VAL . 2.2 ttt180 -55.63 -56.97 14.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.697 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -48.08 69.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -48.05 83.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.365 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.562 ' HB2' ' HG ' ' A' ' 387' ' ' LEU . . . -60.91 -52.3 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.736 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 438' ' ' ARG . 40.3 t -53.53 -40.84 43.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . . . . . . . . . 9.5 t -61.94 -52.47 63.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.248 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 10.1 mmtm -58.65 -47.67 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.702 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.848 HG21 ' HG ' ' A' ' 420' ' ' LEU . 13.3 mt -55.43 -56.07 13.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 110.55 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.518 ' NE2' HG12 ' A' ' 442' ' ' VAL . 32.6 mt-30 -62.53 -32.57 73.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.858 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -64.58 -52.22 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.785 HG13 HG21 ' A' ' 397' ' ' VAL . 13.7 tt -63.89 -33.15 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.584 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -57.71 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.442 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 1.5 pt-20 -63.48 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -62.15 -48.25 80.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.56 179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 412' ' ' LEU . 3.8 mt -68.8 -42.18 77.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.93 82.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -31.9 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -99.42 25.12 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.494 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.677 0.275 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.93 106.29 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.691 2.261 . . . . 0.0 111.93 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.98 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.523 2.149 . . . . 0.0 112.759 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.723 ' CB ' HG23 ' A' ' 426' ' ' VAL . 0.1 OUTLIER -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.978 179.531 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . . . . . . . . . 1.3 tp -39.52 -32.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.952 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 384' ' ' ILE . 16.9 mmtt -48.29 -63.23 1.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -31.54 69.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.548 ' CG2' ' HB1' ' A' ' 437' ' ' ALA . 7.3 mm -65.61 -43.24 94.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 381' ' ' LYS . 5.8 mt -66.42 -41.74 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -58.59 -54.97 41.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.44 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 390' ' ' VAL . 33.4 m -59.71 -38.32 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.94 -53.26 58.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.301 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.09 -43.14 91.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.928 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -43.33 81.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.116 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 386' ' ' VAL . 60.2 t -63.15 -41.71 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -55.25 -54.59 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.154 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -57.08 -42.63 81.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.86 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -61.75 -41.5 97.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.859 179.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.28 -49.8 73.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.08 -44.57 83.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.675 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.99 -36.97 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.925 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 393' ' ' LEU . 67.1 t -60.87 -48.54 88.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.205 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.74 -36.64 81.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.113 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -82.29 -13.07 57.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 409' ' ' TYR . 68.8 t80 -41.93 137.98 1.64 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.6 p -48.48 -48.27 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.482 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 136.36 -41.47 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.803 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -106.52 151.06 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.019 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 11.1 tttt -78.92 58.45 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 10.6 t -123.1 -31.15 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.03 159.97 23.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.449 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -65.89 -15.6 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.356 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.19 -57.27 10.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.791 ' CE1' HD22 ' A' ' 452' ' ' LEU . 7.0 t80 -57.91 -36.51 72.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.07 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 53.4 m0 -57.08 -63.13 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.449 . . . . 0.0 110.137 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 4.1 pp -63.62 -25.6 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.54 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 1.063 HD13 HD11 ' A' ' 452' ' ' LEU . 10.0 mt -58.78 -67.29 0.38 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 417' ' ' THR . 0.7 OUTLIER -63.58 -42.24 98.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.939 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.56 -56.55 17.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.494 ' HG2' HD11 ' A' ' 393' ' ' LEU . 13.7 ttm -60.6 -41.47 94.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.701 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 393' ' ' LEU . 0.6 OUTLIER -63.35 -43.78 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 413' ' ' GLU . 47.1 p -64.01 -40.19 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -58.52 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -57.28 -36.73 71.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.814 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 445' ' ' ILE . 1.8 mt -60.99 -53.74 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.72 -40.17 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.669 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.1 -32.55 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.719 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.88 ' O ' HG12 ' A' ' 426' ' ' VAL . 7.7 tp -72.92 -37.33 67.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.27 -13.66 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.485 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 8.2 m -71.9 -31.36 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.673 0.273 . . . . 0.0 111.155 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 423' ' ' LEU . 14.7 p -57.26 155.06 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.286 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 426' ' ' VAL . 0.0 OUTLIER -132.45 -64.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.629 ' OG1' HG21 ' A' ' 434' ' ' VAL . 86.2 m 64.76 -75.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 123.62 -73.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -148.4 25.66 1.38 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.647 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 428' ' ' THR . 3.2 tp60 -81.05 127.82 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.47 -25.38 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.281 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 99.1 p -62.25 -69.27 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 438' ' ' ARG . 71.5 t -64.99 -26.66 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -60.82 -56.71 17.9 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -46.85 86.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.134 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.548 ' HB1' ' CG2' ' A' ' 383' ' ' ILE . . . -60.81 -32.32 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG12 ' A' ' 434' ' ' VAL . 0.9 OUTLIER -66.69 -62.34 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.498 179.581 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 1.6 mmtt -52.7 -38.48 60.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.458 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.38 -43.52 94.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.11 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 445' ' ' ILE . . . -66.03 -56.01 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.716 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 17.1 m -50.36 -43.76 22.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.451 ' N ' HG23 ' A' ' 442' ' ' VAL . 1.7 m -64.71 -47.65 77.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.4 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 390' ' ' VAL . 13.4 tttp -62.91 -57.36 11.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.092 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.775 HD13 HD21 ' A' ' 420' ' ' LEU . 2.5 pp -52.05 -47.86 42.14 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.109 0 CA-C-O 120.804 0.335 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.713 ' N ' HD12 ' A' ' 445' ' ' ILE . 0.0 OUTLIER -68.83 -32.97 73.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -66.19 -52.63 46.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.628 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.793 HG13 HG21 ' A' ' 397' ' ' VAL . 19.3 tt -63.43 -37.77 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.733 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.689 HD12 HD23 ' A' ' 416' ' ' LEU . 1.7 mp -60.68 -55.43 33.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.625 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 451' ' ' LYS . 22.9 pt-20 -60.91 -37.55 82.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -59.44 -47.29 86.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.71 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 1.063 HD11 HD13 ' A' ' 412' ' ' LEU . 8.2 mt -67.89 -37.27 81.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.738 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -43.3 98.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.17 -35.26 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -34.76 64.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.499 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.4 ' OG1' ' HD2' ' A' ' 377' ' ' PRO . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.682 0.277 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.45 ' HB3' ' HD2' ' A' ' 378' ' ' PRO . 62.1 Cg_exo -51.57 -173.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.276 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 377' ' ' PRO . 95.0 Cg_endo -81.94 40.71 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.499 2.133 . . . . 0.0 113.051 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.651 ' OG ' HG11 ' A' ' 434' ' ' VAL . 3.3 t -103.41 -38.9 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.424 . . . . 0.0 110.565 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 380' ' ' ILE . 0.1 OUTLIER -76.66 -36.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.233 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.452 ' HA ' HG22 ' A' ' 384' ' ' ILE . 11.1 ptmt -57.84 -35.42 70.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.694 ' O ' HG22 ' A' ' 386' ' ' VAL . 7.1 mtpp -70.09 -48.77 56.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.921 HD11 ' HB3' ' A' ' 441' ' ' ALA . 9.0 tp -67.82 -38.43 80.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.593 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.489 HG23 ' N ' ' A' ' 385' ' ' HIS . 20.2 tt -68.35 -45.17 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.682 0.277 . . . . 0.0 110.571 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . 0.489 ' N ' HG23 ' A' ' 384' ' ' ILE . 0.1 OUTLIER -60.11 -56.24 24.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.232 179.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 423' ' ' LEU . 27.8 m -59.05 -35.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.345 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.92 -48.64 80.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.116 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.96 -48.49 81.34 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.7 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.812 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 386' ' ' VAL . 63.1 t -60.1 -37.11 71.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.374 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.31 -55.87 29.18 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.133 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.71 -42.9 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.703 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.703 HD11 ' HG2' ' A' ' 415' ' ' MET . 0.2 OUTLIER -62.17 -36.9 83.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.977 178.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 448' ' ' ILE . 36.3 tt0 -60.68 -46.8 89.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.043 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.98 -42.12 98.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.114 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.12 -57.82 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.728 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.935 HG12 HD13 ' A' ' 412' ' ' LEU . 33.4 m -54.39 -36.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.956 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.38 -37.43 80.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.348 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -89.2 -5.68 57.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.303 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.756 ' HE1' ' HB3' ' A' ' 408' ' ' ALA . 73.7 t80 -47.18 145.23 2.33 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 402' ' ' GLY . 4.2 p -45.33 -51.75 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.733 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 121.0 23.59 2.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.79 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.412 ' H ' HG13 ' A' ' 401' ' ' VAL . 18.5 mtmt -148.1 142.23 26.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -84.77 55.85 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 6.6 t -122.7 -30.98 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -82.59 162.39 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.009 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.448 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -74.72 -19.37 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.756 ' HB3' ' HE1' ' A' ' 400' ' ' PHE . . . -52.36 -57.75 8.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 452' ' ' LEU . 74.0 t80 -51.9 -39.1 58.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.6 m0 -58.0 -60.57 3.52 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.055 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 412' ' ' LEU . 4.0 pp -65.13 -25.55 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.622 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.935 HD13 HG12 ' A' ' 397' ' ' VAL . 11.6 mt -59.98 -67.6 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.068 0.461 . . . . 0.0 110.17 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.14 -44.58 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.47 -55.99 25.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.703 ' HG2' HD11 ' A' ' 393' ' ' LEU . 14.0 tpp -56.23 -45.9 79.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 390' ' ' VAL . 12.2 tp -60.28 -42.43 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 20.5 m -58.49 -49.35 77.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -58.45 -48.66 80.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.17 -39.88 76.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.736 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.684 HD11 HD13 ' A' ' 445' ' ' ILE . 1.3 tt -62.81 -52.72 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.39 -31.85 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.73 -54.86 15.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 386' ' ' VAL . 1.4 pp -64.9 -26.78 68.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -55.46 -22.48 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.284 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 1.1 m -94.88 38.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 111.292 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.576 HG23 ' HA ' ' A' ' 379' ' ' SER . 12.6 p -92.9 142.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -99.7 68.39 1.54 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 111.028 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 429' ' ' GLY . 6.6 t -62.05 -49.72 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 428' ' ' THR . . . 69.67 -65.78 0.62 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.499 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 177.85 52.63 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.412 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -107.02 133.79 51.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -62.36 -46.3 89.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.18 -53.29 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.651 HG11 ' OG ' ' A' ' 379' ' ' SER . 30.7 t -58.81 -39.8 78.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -47.6 85.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -59.98 -56.16 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 383' ' ' ILE . . . -59.25 -31.73 69.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.602 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 442' ' ' VAL . 12.3 tpt180 -62.12 -58.67 6.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.92 80.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.609 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.74 -54.24 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.921 ' HB3' HD11 ' A' ' 383' ' ' ILE . . . -57.35 -48.66 78.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 438' ' ' ARG . 24.4 t -59.86 -34.36 55.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.555 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 7.4 m -65.88 -44.89 83.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.173 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.867 ' O ' HD12 ' A' ' 448' ' ' ILE . 0.2 OUTLIER -61.09 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.735 179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.684 HD13 HD11 ' A' ' 420' ' ' LEU . 1.8 pp -51.11 -48.98 30.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 445' ' ' ILE . 7.1 tt0 -67.46 -25.31 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.148 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -72.87 -36.68 67.42 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.849 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 0.867 HD12 ' O ' ' A' ' 444' ' ' LYS . 1.7 mp -70.47 -46.49 70.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.0 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 416' ' ' LEU . 4.6 mp -59.68 -50.58 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.596 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.36 -51.66 68.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.663 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -38.78 81.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.656 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 409' ' ' TYR . 8.7 mt -66.79 -36.07 81.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -39.78 77.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -30.37 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -86.51 -32.62 20.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.6 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' THR . . . . . 0.648 HG22 ' OG ' ' A' ' 379' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' PRO . . . . . 0.568 ' N ' ' HD2' ' A' ' 378' ' ' PRO . 50.1 Cg_exo -53.34 -47.76 25.66 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.823 2.348 . . . . 0.0 113.213 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 377' ' ' PRO . 40.5 Cg_endo -68.15 -21.92 41.62 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.078 1.852 . . . . 0.0 112.772 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.681 ' HB3' HG21 ' A' ' 434' ' ' VAL . 7.5 m -93.91 -27.36 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' ILE . . . . . 0.78 HG12 HD11 ' A' ' 384' ' ' ILE . 3.3 tt -94.3 -36.27 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.337 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 384' ' ' ILE . 0.0 OUTLIER -56.34 -40.35 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.727 ' HB2' HG23 ' A' ' 426' ' ' VAL . 0.8 OUTLIER -62.26 -56.75 15.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.044 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 437' ' ' ALA . 33.9 pt -55.17 -37.6 43.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' ILE . . . . . 0.78 HD11 HG12 ' A' ' 380' ' ' ILE . 37.0 mt -63.35 -50.24 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.533 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -55.34 -54.14 47.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.602 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.757 HG21 HD12 ' A' ' 423' ' ' LEU . 25.4 m -59.42 -34.42 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -50.12 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -44.51 96.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.235 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -54.46 45.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.582 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' VAL . . . . . 0.84 HG11 ' HB3' ' A' ' 444' ' ' LYS . 74.0 t -61.24 -32.65 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.441 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -58.09 -55.63 32.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -58.86 -40.23 83.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.638 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' LEU . . . . . 0.512 HD23 HD23 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -60.77 -47.15 87.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.048 179.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 448' ' ' ILE . 21.6 tt0 -56.17 -43.37 78.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.131 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -62.01 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.222 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . 0.467 ' HB2' HD21 ' A' ' 412' ' ' LEU . 1.8 mt-10 -60.17 -56.66 18.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' VAL . . . . . 0.793 ' CG1' HD22 ' A' ' 412' ' ' LEU . 17.9 m -54.9 -38.93 46.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.843 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.38 -45.34 94.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.478 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.15 -4.3 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.321 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' PHE . . . . . 0.482 ' HE1' ' HB2' ' A' ' 409' ' ' TYR . 85.9 t80 -47.1 123.59 5.53 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 402' ' ' GLY . 7.5 p -45.15 -45.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.516 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.486 ' N ' HG13 ' A' ' 401' ' ' VAL . . . 118.23 20.7 4.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.462 ' H ' HG13 ' A' ' 401' ' ' VAL . 1.6 ptpp? -148.19 148.34 30.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.774 0.321 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 409' ' ' TYR . 7.5 tmtt? -84.85 55.1 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' THR . . . . . . . . . . . . . 7.4 m -123.31 -31.18 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.36 167.12 16.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.444 ' HA ' ' CE3' ' A' ' 410' ' ' TRP . 0.2 OUTLIER -70.72 -17.8 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 412' ' ' LEU . . . -52.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.877 0.37 . . . . 0.0 111.245 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' TYR . . . . . 0.766 ' HA ' HD12 ' A' ' 412' ' ' LEU . 2.5 t80 -50.93 -39.16 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' TRP . . . . . 0.444 ' CE3' ' HA ' ' A' ' 407' ' ' LYS . 47.3 m0 -56.91 -65.19 0.66 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.939 0.399 . . . . 0.0 110.303 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.02 -28.29 69.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.916 HD13 HD21 ' A' ' 452' ' ' LEU . 24.0 mt -58.27 -70.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.74 -46.36 90.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.7 -59.24 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 42.0 tpp -56.84 -36.18 69.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 448' ' ' ILE . 0.3 OUTLIER -58.75 -55.73 31.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 7.5 p -58.66 -45.88 88.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.5 -50.53 73.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.6 -41.44 90.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -52.09 67.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.7 mp -60.39 -38.81 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -69.97 -38.08 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 386' ' ' VAL . 7.3 tt -67.89 -37.38 81.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.09 -21.19 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.237 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' SER . . . . . . . . . . . . . 3.1 m -94.85 37.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.299 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 382' ' ' LYS . 13.4 p -104.33 119.99 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -67.03 141.08 57.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.54 ' HB ' HG11 ' A' ' 434' ' ' VAL . 3.1 t -162.37 88.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.36 73.96 1.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.417 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 77.54 38.18 29.0 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.25 123.02 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.76 -43.35 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 m -66.16 -43.65 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' VAL . . . . . 0.681 HG21 ' HB3' ' A' ' 379' ' ' SER . 21.6 t -67.48 -41.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.72 -51.64 68.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.45 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -52.3 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' A' ' 383' ' ' ILE . . . -59.47 -34.78 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.679 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 442' ' ' VAL . 6.8 ttt180 -61.04 -56.6 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' CG2' ' A' ' 442' ' ' VAL . 31.5 mmtt -59.87 -34.37 73.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.429 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.43 -44.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.459 ' HB3' HD11 ' A' ' 423' ' ' LEU . . . -65.03 -55.7 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.696 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 439' ' ' LYS . 14.3 m -51.13 -42.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 447' ' ' ALA . 41.8 m -67.21 -41.04 86.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.551 179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.84 ' HB3' HG11 ' A' ' 390' ' ' VAL . 1.9 tttt -67.21 -54.26 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.855 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ILE . . . . . 0.636 ' HB ' HD11 ' A' ' 416' ' ' LEU . 1.9 pp -54.82 -51.1 55.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.809 0.337 . . . . 0.0 110.689 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.635 ' N ' HD12 ' A' ' 445' ' ' ILE . 4.7 pp0? -66.92 -28.17 68.08 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.956 0.408 . . . . 0.0 110.059 178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 443' ' ' CYS . . . -62.99 -60.52 3.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.728 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 416' ' ' LEU . 1.1 pt -65.68 -30.65 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.745 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' LEU . . . . . 0.552 HD12 ' HG ' ' A' ' 416' ' ' LEU . 7.5 tt -64.67 -52.59 56.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.02 0.438 . . . . 0.0 110.261 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -43.93 97.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.317 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -38.05 79.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.4 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.916 HD21 HD13 ' A' ' 412' ' ' LEU . 8.1 mt -65.61 -48.79 71.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.738 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.06 -39.66 82.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -36.77 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -78.03 -34.52 50.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 stop_ save_