data_2mwe_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 2mwe _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 434' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.975 0.417 . . . . 15.0 110.966 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -89.92 120.94 31.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.7 -0.481 . . . . 15.0 109.7 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.9 m -91.89 124.91 36.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.708 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 9.1 pt-20 -89.74 113.44 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 173.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 445' ' ' THR . 57.7 mtp180 -92.3 111.14 22.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.644 -173.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -89.97 92.08 8.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.012 -0.995 . . . . 15.0 110.038 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.1 p -89.99 137.34 32.42 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.508 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.62 5.0 1.57 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.358 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.24 -5.12 40.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 15.0 110.013 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 32.51 9.62 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.393 -0.821 . . . . 15.0 112.638 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 10.8 pttm -150.12 137.3 19.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.001 0.429 . . . . 15.0 111.375 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -113.68 144.14 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.938 -0.764 . . . . 15.0 108.938 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.511 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 12.1 p90 -144.69 140.41 28.59 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.83 -0.348 . . . . 15.0 110.665 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.8 m-85 -89.81 92.16 8.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 15.0 110.068 -174.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -91.1 124.97 35.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.606 -0.725 . . . . 15.0 110.131 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -136.89 133.16 35.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.736 -0.839 . . . . 15.0 108.736 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.78 -14.94 62.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.881 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.52 -39.59 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.454 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 m -112.99 -9.0 13.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.186 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.64 27.17 16.88 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.859 -0.609 . . . . 15.0 110.373 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.69 150.19 49.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.782 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.1 p -90.0 115.05 26.99 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.576 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 33.4 m -90.0 128.36 36.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.243 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.468 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 37.1 m95 -104.6 -20.96 13.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.18 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 8.7 tp10 -69.14 149.36 48.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.464 -0.789 . . . . 15.0 110.439 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.902 ' HE3' ' HA ' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -79.35 113.85 40.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 15.0 111.083 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 5.2 Cg_exo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.447 2.098 . . . . 15.0 111.301 172.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.702 ' HG3' HD22 ' A' ' 450' ' ' ASN . 41.5 tt0 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 121.324 0.583 . . . . 15.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.528 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 13.1 m95 -105.18 113.45 27.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 15.0 111.165 -173.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.4 m -89.92 130.49 36.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.757 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 3.1 pt-20 -89.85 111.38 22.39 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 170.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -101.42 96.44 7.16 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.804 -0.758 . . . . 15.0 109.308 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 34.7 ttmt -98.95 93.98 6.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.523 -1.217 . . . . 15.0 110.326 -173.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.2 p -89.65 150.04 22.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.547 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.24 4.95 2.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 15.0 112.072 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -7.45 56.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.783 0.801 . . . . 15.0 109.214 172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.22 33.8 8.54 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.251 -0.886 . . . . 15.0 112.118 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -135.82 130.59 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.481 . . . . 15.0 110.965 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.1 m -117.89 129.5 55.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -143.91 150.24 38.08 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.513 -0.475 . . . . 15.0 110.871 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.625 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-30 -89.77 110.27 21.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.505 . . . . 15.0 109.797 -175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -89.92 125.22 35.28 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.528 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.9 t-20 -89.88 107.96 19.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.052 -0.721 . . . . 15.0 109.052 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.702 HD22 ' HG3' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.14 -3.26 54.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.866 -175.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 451' ' ' ARG . 38.0 ttp180 -83.19 -47.45 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.108 0.48 . . . . 15.0 110.06 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.9 p -105.61 -6.01 19.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.293 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.68 27.96 7.47 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.562 -0.745 . . . . 15.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.4 pt-20 -100.87 150.2 23.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.664 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.7 p -89.89 111.87 23.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.6 m -101.24 105.63 16.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.274 0.559 . . . . 15.0 110.863 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -94.95 -12.57 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.385 0.612 . . . . 15.0 110.025 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.73 106.64 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.283 -0.871 . . . . 15.0 108.961 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.448 ' HB2' ' HZ1' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -99.5 116.67 64.77 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.6 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.794 2.33 . . . . 15.0 111.24 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.94 0.4 . . . . 15.0 110.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -99.14 114.88 27.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.39 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 438' ' ' ARG . 53.5 m -96.6 119.87 35.86 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.248 173.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -90.03 109.33 20.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.312 -0.996 . . . . 15.0 108.312 174.394 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' A' ' 436' ' ' THR . 16.6 mtp180 -101.76 97.28 7.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.279 0.562 . . . . 15.0 110.542 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.684 ' HZ3' ' HB3' ' A' ' 439' ' ' LYS . 0.3 OUTLIER -91.26 101.74 14.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.575 179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.84 147.2 23.92 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.904 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.22 -7.23 1.8 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.061 0.763 . . . . 15.0 113.061 -172.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.18 -10.03 51.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.439 0.637 . . . . 15.0 109.965 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 31.22 11.02 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.515 -0.766 . . . . 15.0 112.321 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.5 ' HD2' ' CH2' ' A' ' 457' ' ' TRP . 9.9 pttm -140.18 127.64 21.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 15.0 111.413 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 17.0 m -105.45 144.73 31.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.036 -0.984 . . . . 15.0 109.719 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -146.06 139.09 25.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.6 m-85 -89.75 109.17 20.18 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -89.37 121.36 31.54 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.534 HD21 ' N ' ' A' ' 449' ' ' ASN . 0.7 OUTLIER -89.9 115.16 27.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.043 -0.98 . . . . 15.0 109.382 -178.245 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -76.26 -20.31 57.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 15.0 110.854 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -84.87 -26.08 27.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.564 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.8 p -120.02 -2.73 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.126 0.417 . . . . 15.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 59.72 37.02 22.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.36 0.412 . . . . 15.0 111.474 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' A' ' 449' ' ' ASN . 11.6 pt-20 -118.62 150.29 39.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.682 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -99.35 105.59 17.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 170.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.9 m -89.92 115.97 27.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.698 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.5 ' CH2' ' HD2' ' A' ' 444' ' ' LYS . 72.5 m95 -99.67 -2.26 35.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.565 0.698 . . . . 15.0 110.024 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 7.3 mm-40 -81.59 120.43 25.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.744 -1.116 . . . . 15.0 108.693 174.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 459' ' ' LYS . 8.3 tmtm? -78.51 117.06 64.17 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.837 0.351 . . . . 15.0 110.799 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 73.9 Cg_endo . . . . . 0 C--O 1.246 0.899 0 C-N-CA 123.044 2.496 . . . . 15.0 111.348 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.979 0.419 . . . . 15.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -101.52 107.14 18.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.721 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -89.97 123.22 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 15.0 110.602 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 7.5 pt-20 -90.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.445 176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 445' ' ' THR . 35.7 mtp180 -93.67 101.64 13.79 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 119.973 -0.691 . . . . 15.0 109.673 -172.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.77 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.0 100.44 13.26 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.163 -176.573 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.6 p -89.76 150.12 22.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.778 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.04 4.08 2.33 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.356 0.873 . . . . 15.0 113.356 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.68 -10.07 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.779 0.799 . . . . 15.0 109.036 171.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 32.37 9.69 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.654 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -136.11 117.58 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.558 0.694 . . . . 15.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 34.1 m -100.04 146.21 27.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.113 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.485 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 25.5 p90 -146.49 145.3 30.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.837 -0.345 . . . . 15.0 110.121 -177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.721 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.2 m-85 -91.9 108.48 19.95 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.475 0.655 . . . . 15.0 111.136 -175.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.92 114.58 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.863 -1.062 . . . . 15.0 108.66 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 451' ' ' ARG . 45.1 t30 -118.97 144.73 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.405 -176.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.3 7.91 25.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.023 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.463 ' HB2' HD22 ' A' ' 449' ' ' ASN . 33.9 mmt180 -61.75 -48.61 79.89 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.818 -0.353 . . . . 15.0 110.722 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.449 ' HG1' ' CD ' ' A' ' 454' ' ' GLU . 73.1 p -120.03 0.38 10.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.052 168.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 76.9 43.59 0.12 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.868 0.867 . . . . 15.0 109.846 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.449 ' CD ' ' HG1' ' A' ' 452' ' ' THR . 1.7 pm0 -100.66 145.99 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.323 -175.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.7 p -98.18 112.43 24.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.618 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 29.1 m -101.63 124.22 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.062 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -112.53 -1.83 14.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.27 0.557 . . . . 15.0 110.308 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 33.7 tt0 -86.1 136.33 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.429 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.585 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 54.9 tptt -87.48 115.05 61.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.743 0.306 . . . . 15.0 111.372 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 42.4 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.945 2.43 . . . . 15.0 111.208 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.255 0.55 . . . . 15.0 110.087 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -97.91 129.81 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.439 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.725 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.9 m -89.72 123.41 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.305 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -101.04 108.09 19.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 445' ' ' THR . 40.3 mtt180 -106.14 106.14 16.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.852 -0.739 . . . . 15.0 110.115 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.444 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 6.5 ptpt -90.03 97.92 11.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.896 -174.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 442' ' ' ASP . 41.1 p -89.58 147.3 24.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.715 -1.13 . . . . 15.0 110.716 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.41 14.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.233 0.827 . . . . 15.0 113.233 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.549 ' HB3' ' HG2' ' A' ' 444' ' ' LYS . 30.6 t70 -84.42 -6.46 59.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.638 0.732 . . . . 15.0 109.541 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 23.12 32.86 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 442' ' ' ASP . 21.9 pttp -139.51 130.95 26.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.207 0.527 . . . . 15.0 110.929 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.5 t -103.34 149.98 24.23 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.421 -0.955 . . . . 15.0 108.421 170.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.515 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 19.3 p90 -129.14 134.02 47.87 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 119.566 -0.854 . . . . 15.0 110.533 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.725 ' HA ' ' O ' ' A' ' 436' ' ' THR . 27.6 m-85 -89.94 111.94 23.16 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.102 -0.954 . . . . 15.0 109.659 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.513 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 22.0 t80 -89.68 122.51 32.87 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.879 -0.6 . . . . 15.0 109.54 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.98 116.45 28.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.43 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.7 -13.32 59.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.215 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -84.13 -32.86 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.396 -0.366 . . . . 15.0 111.221 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 p -120.3 -1.9 10.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.413 -0.358 . . . . 15.0 111.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 61.67 32.06 18.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.988 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.88 150.5 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.608 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.1 p -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.123 0.487 . . . . 15.0 109.936 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.0 m -92.73 119.4 32.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 15.0 110.196 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.515 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 76.5 m95 -104.74 0.83 28.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.153 0.501 . . . . 15.0 110.865 -177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.518 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 40.1 mt-10 -88.31 139.97 29.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.119 175.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.763 ' HE3' ' HD2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -69.83 110.32 6.34 Favored Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.287 0.367 . . . . 15.0 111.709 -174.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.763 ' HD2' ' HE3' ' A' ' 459' ' ' LYS . 35.6 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.202 2.601 . . . . 15.0 111.561 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.597 ' HB3' HD22 ' A' ' 449' ' ' ASN . 22.8 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.039 0.447 . . . . 15.0 111.343 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.493 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 50.3 m95 -91.03 100.46 13.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 15.0 110.174 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.0 m -90.15 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 15.0 111.249 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -89.74 119.33 30.04 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 445' ' ' THR . 45.5 mtp180 -98.73 114.17 26.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.122 -0.49 . . . . 15.0 109.783 -175.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.705 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.86 90.08 8.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.845 0.831 . . . . 15.0 109.46 -177.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.472 HG22 ' H ' ' A' ' 442' ' ' ASP . 41.9 m -89.87 132.32 35.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.846 -1.07 . . . . 15.0 110.035 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.13 -1.28 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.301 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 440' ' ' THR . 36.1 t70 -78.27 -2.62 38.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.451 0.643 . . . . 15.0 110.349 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 38.8 6.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.862 -0.685 . . . . 15.0 112.585 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -150.08 121.74 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.104 0.478 . . . . 15.0 111.226 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.4 m -106.25 131.08 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 173.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.89 148.22 32.61 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.829 -0.348 . . . . 15.0 110.835 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 20.5 m-85 -89.94 101.97 14.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 15.0 110.88 -175.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -106.13 131.86 52.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.022 -0.535 . . . . 15.0 109.782 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.597 HD22 ' HB3' ' A' ' 434' ' ' GLU . 53.8 t-20 -123.68 129.55 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.834 0.35 . . . . 15.0 110.471 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -6.49 34.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.857 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -55.64 31.21 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.085 0.469 . . . . 15.0 110.702 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -120.14 0.32 10.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.495 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.29 43.05 4.96 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.055 -1.091 . . . . 15.0 108.055 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.12 124.18 34.59 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.122 -1.399 . . . . 15.0 110.122 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.1 p -98.16 102.68 14.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.215 0.531 . . . . 15.0 110.113 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.643 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 32.1 m -91.14 109.3 20.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 15.0 110.149 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -103.83 -10.32 18.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.448 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 1.8 pm0 -88.94 149.99 23.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.529 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.455 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 55.5 tptt -86.83 113.93 55.63 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.632 -0.258 . . . . 15.0 110.675 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.455 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.917 2.411 . . . . 15.0 111.284 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.136 0.493 . . . . 15.0 110.646 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HZ3' HD21 ' A' ' 449' ' ' ASN . 77.1 m95 -126.22 114.2 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.358 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.607 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.3 m -89.79 112.78 24.19 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 15.0 110.206 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 124.07 34.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.526 -1.287 . . . . 15.0 107.526 171.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 445' ' ' THR . 15.3 mtt180 -112.86 105.08 13.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 120.007 -0.677 . . . . 15.0 110.413 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -89.94 92.56 9.05 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.221 -0.899 . . . . 15.0 109.146 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.4 p -89.88 146.65 24.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.138 -0.937 . . . . 15.0 110.492 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.58 12.76 0.93 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.541 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.403 ' HB3' ' HE2' ' A' ' 444' ' ' LYS . 29.8 t70 -85.54 -3.9 59.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.654 0.74 . . . . 15.0 109.264 175.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 35.7 7.5 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.162 -0.926 . . . . 15.0 112.005 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 442' ' ' ASP . 33.5 pttt -150.11 121.53 7.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.216 0.531 . . . . 15.0 111.407 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 54.7 m -102.04 127.44 48.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 170.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -129.89 141.01 50.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.871 -0.732 . . . . 15.0 110.9 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.607 ' HA ' ' O ' ' A' ' 436' ' ' THR . 21.2 m-85 -98.2 113.55 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.176 -174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -89.56 126.75 35.73 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.179 0.514 . . . . 15.0 109.667 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.407 HD21 ' HZ3' ' A' ' 435' ' ' TRP . 16.6 t-20 -89.88 113.49 25.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.352 -0.84 . . . . 15.0 110.078 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.88 1.87 54.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.53 -0.305 . . . . 15.0 110.906 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -73.58 -52.19 14.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.831 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.052 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.79 76.34 0.27 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.962 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.98 150.26 31.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.214 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 p -89.91 110.83 21.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.31 0.576 . . . . 15.0 110.2 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -90.33 102.01 14.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.086 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -93.45 3.5 55.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.854 0.835 . . . . 15.0 109.093 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 28.1 mt-10 -87.73 134.79 33.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.763 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -72.05 113.21 18.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.732 0.301 . . . . 15.0 111.15 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 71.9 Cg_endo . . . . . 0 C--O 1.246 0.925 0 C-N-CA 122.991 2.46 . . . . 15.0 111.625 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.73 ' HG3' HD22 ' A' ' 449' ' ' ASN . 10.4 tp10 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.243 0.544 . . . . 15.0 110.398 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.578 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 64.4 m95 -99.86 126.93 46.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.357 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.653 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.5 m -89.95 125.64 35.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 15.0 111.193 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -89.75 113.63 25.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 65.0 mtp180 -101.39 105.22 16.23 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.437 -0.505 . . . . 15.0 110.057 -174.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -92.24 89.93 7.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.648 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.0 t -91.07 144.22 25.88 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.027 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.5 -4.37 3.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.76 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.49 -12.59 45.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.494 0.664 . . . . 15.0 109.962 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.3 34.43 8.08 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.288 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 15.8 pttm -146.27 127.8 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.135 0.493 . . . . 15.0 111.326 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 73.5 m -108.89 126.25 52.86 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.479 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 12.0 p90 -136.82 144.14 43.51 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 120.508 -0.477 . . . . 15.0 110.236 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 436' ' ' THR . 30.1 m-85 -90.56 89.72 7.68 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.4 0.619 . . . . 15.0 109.941 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 3.9 t80 -94.09 128.51 40.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.433 -0.803 . . . . 15.0 109.195 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.73 HD22 ' HG3' ' A' ' 434' ' ' GLU . 38.6 t-20 -127.13 134.13 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.936 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -67.51 -21.52 65.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.099 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -71.1 -19.81 62.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.389 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.7 p -120.05 -10.03 9.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.922 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 55.4 28.6 11.75 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.065 0.46 . . . . 15.0 110.465 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -137.79 150.17 46.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.21 -170.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 10.2 p -95.49 119.31 33.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 15.0 111.031 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 32.0 m -95.93 128.42 42.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.978 -0.555 . . . . 15.0 109.953 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.572 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 72.1 m95 -102.51 -22.3 14.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.267 0.556 . . . . 15.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.01 130.41 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 15.0 110.492 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -74.15 113.34 22.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.257 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.768 2.312 . . . . 15.0 111.906 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.473 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 1.7 mp0 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.987 0.422 . . . . 15.0 111.036 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 103.81 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.277 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -95.81 122.21 38.36 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.075 -0.25 . . . . 15.0 111.002 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -89.78 108.61 19.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 436' ' ' THR . 68.9 mtp180 -95.74 101.46 13.15 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.056 -173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -89.83 96.02 10.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.485 -0.779 . . . . 15.0 109.698 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.6 p -89.71 148.0 23.53 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.249 -0.887 . . . . 15.0 111.497 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.31 -2.49 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.605 -0.725 . . . . 15.0 111.452 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.29 -8.1 36.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.717 0.77 . . . . 15.0 109.651 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 26.42 24.26 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.434 -0.803 . . . . 15.0 111.994 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -149.04 134.29 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.382 0.611 . . . . 15.0 111.332 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -107.53 145.41 33.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.147 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.9 p90 -143.61 137.69 28.5 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.077 0.465 . . . . 15.0 110.374 -177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.768 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.4 m-85 -89.73 99.07 12.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.871 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -89.41 111.61 22.53 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.757 -0.831 . . . . 15.0 108.757 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.687 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.0 t30 -95.24 124.94 39.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.84 -1.073 . . . . 15.0 110.757 -176.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.87 -15.08 59.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.544 ' HB2' HD22 ' A' ' 449' ' ' ASN . 32.7 mtp180 -74.65 -36.29 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 15.0 111.736 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 m -120.21 -8.17 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.933 -0.307 . . . . 15.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.18 34.94 13.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.519 0.676 . . . . 15.0 109.675 -171.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.687 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -103.72 150.26 24.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.083 -0.962 . . . . 15.0 110.481 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.8 t -101.54 107.91 19.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.442 0.639 . . . . 15.0 109.767 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.768 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 53.3 m -89.97 121.18 31.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.994 -1.003 . . . . 15.0 110.007 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 97.8 m95 -106.78 0.19 23.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.951 0.405 . . . . 15.0 111.273 -175.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.98 135.03 50.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.687 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -74.03 116.67 54.65 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.631 -0.507 . . . . 15.0 109.631 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 122.509 2.139 . . . . 15.0 111.909 -179.37 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.828 0.347 . . . . 15.0 110.936 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -94.74 107.87 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.43 -0.581 . . . . 15.0 109.43 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.666 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.6 m -89.81 127.35 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.308 -0.405 . . . . 15.0 111.533 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.9 114.19 25.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.511 -0.922 . . . . 15.0 108.511 173.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.606 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.9 mtp180 -102.16 108.9 20.44 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.357 -0.608 . . . . 15.0 109.357 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.87 95.14 10.1 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 122.135 0.969 . . . . 15.0 110.099 -176.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 442' ' ' ASP . 99.0 m -89.77 132.08 35.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.136 -1.393 . . . . 15.0 110.311 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.04 0.88 3.13 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.518 ' H ' HG22 ' A' ' 440' ' ' THR . 18.1 t70 -76.43 -5.52 47.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 15.0 110.199 176.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 36.26 7.3 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.678 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -145.07 113.44 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.291 0.567 . . . . 15.0 111.571 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.8 m -99.83 140.91 33.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 170.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.606 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 7.7 p90 -149.28 145.13 26.91 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.465 -0.494 . . . . 15.0 110.618 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.666 ' HA ' ' O ' ' A' ' 436' ' ' THR . 24.1 m-85 -90.01 96.38 10.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.411 -176.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.82 121.76 32.26 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.307 -0.627 . . . . 15.0 109.307 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.485 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 16.3 t-20 -128.5 136.69 51.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.014 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -81.76 -19.75 40.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.765 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.485 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -67.01 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.399 0.618 . . . . 15.0 109.604 178.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.503 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 23.7 p -104.05 -25.02 13.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.536 174.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.68 35.26 9.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.217 -0.901 . . . . 15.0 110.593 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.503 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 2.4 pp20? -146.83 150.18 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.581 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 m -89.82 119.44 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.24 -0.437 . . . . 15.0 110.469 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.4 m -89.78 124.36 34.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.018 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -102.57 -13.49 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.417 0.627 . . . . 15.0 109.854 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.37 150.01 23.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.033 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -75.4 119.06 75.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.708 0.289 . . . . 15.0 111.042 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--O 1.252 1.206 0 C-N-CA 122.894 2.396 . . . . 15.0 112.036 177.858 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.948 0.404 . . . . 15.0 110.418 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.53 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 71.7 m95 -135.05 114.06 12.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.717 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.8 m -90.12 122.78 33.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.33 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 0.3 OUTLIER -90.64 112.64 24.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.734 0.778 . . . . 15.0 109.494 170.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.657 ' O ' ' HA ' ' A' ' 445' ' ' THR . 44.7 mtt180 -94.39 115.63 27.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.518 -0.765 . . . . 15.0 110.715 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -89.72 96.65 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.257 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 68.8 p -90.0 148.71 22.91 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.838 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -72.49 6.31 2.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.289 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.06 -5.68 57.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.902 0.858 . . . . 15.0 108.845 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.3 36.58 8.08 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.906 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -150.11 133.04 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 15.0 111.058 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 10.8 t -108.7 135.73 49.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.494 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -128.31 144.24 51.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.802 -0.359 . . . . 15.0 110.717 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-30 -90.07 102.61 15.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.048 0.451 . . . . 15.0 110.133 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -89.64 123.35 33.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.13 0.491 . . . . 15.0 110.187 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.53 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 43.7 t30 -91.67 126.33 36.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.365 -0.834 . . . . 15.0 111.155 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -88.07 -9.82 52.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.725 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.53 ' HB2' HD22 ' A' ' 449' ' ' ASN . 16.4 mmm180 -68.88 -47.58 65.52 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.843 0.354 . . . . 15.0 111.327 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.783 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.0 -0.09 10.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.148 -178.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.31 53.97 2.69 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.57 0.7 . . . . 15.0 110.18 -174.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.783 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.6 mt-10 -111.52 142.3 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.286 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 p -91.35 101.16 13.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.32 0.581 . . . . 15.0 109.948 171.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 447' ' ' TYR . 63.6 m -89.94 112.84 24.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.455 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -103.95 -0.16 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.998 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.72 123.0 48.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.912 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.82 115.38 12.6 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.694 -175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.803 2.335 . . . . 15.0 111.741 175.238 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.591 0.71 . . . . 15.0 110.464 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 75.6 m95 -103.77 117.98 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.018 -0.537 . . . . 15.0 110.329 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.1 m -90.3 128.67 36.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.025 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.67 108.48 19.7 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.489 ' O ' ' HA ' ' A' ' 445' ' ' THR . 71.8 mtp180 -89.87 106.06 18.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.452 -172.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -93.07 94.01 8.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.228 -1.351 . . . . 15.0 110.406 -172.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -89.85 145.93 24.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.791 -0.641 . . . . 15.0 110.306 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.79 -4.3 12.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.586 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.37 -8.47 40.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.583 0.706 . . . . 15.0 109.818 173.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 36.57 7.13 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.495 -0.775 . . . . 15.0 112.808 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -150.02 139.34 21.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 15.0 110.924 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 4.6 t -113.51 149.95 33.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.492 -0.558 . . . . 15.0 109.492 174.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -144.45 139.62 28.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.942 -0.392 . . . . 15.0 109.942 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.846 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 12.6 m-85 -89.8 98.69 11.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.52 . . . . 15.0 110.101 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.0 128.07 51.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.68 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.427 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 53.3 t-20 -133.12 132.62 41.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.92 -6.79 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.087 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.25 -48.68 65.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.485 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.5 m -119.95 -1.11 10.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.327 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.62 36.15 19.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.525 0.678 . . . . 15.0 109.935 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -104.24 142.09 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.9 -1.045 . . . . 15.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -92.15 114.74 27.36 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.655 -0.702 . . . . 15.0 109.374 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.846 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 m -89.92 115.34 27.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 15.0 110.269 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -109.94 -4.76 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.26 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -93.87 130.93 39.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.901 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 29.3 mmmt -71.69 115.12 34.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.449 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 122.868 2.379 . . . . 15.0 111.603 175.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.927 0.394 . . . . 15.0 111.055 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -106.7 111.07 23.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 15.0 109.973 -176.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 44.3 m -95.01 128.86 42.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.083 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 2.5 pt-20 -89.47 115.89 27.24 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 171.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.599 ' O ' ' HA ' ' A' ' 445' ' ' THR . 18.0 ttt180 -96.23 98.8 10.59 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -89.61 94.0 9.69 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.631 0.729 . . . . 15.0 109.304 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.1 p -89.76 145.52 25.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.811 -1.086 . . . . 15.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.99 3.4 2.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.301 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -5.24 32.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.689 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 25.05 28.14 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.443 -0.798 . . . . 15.0 112.111 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.464 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 7.8 pttm -150.08 133.81 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.219 0.533 . . . . 15.0 111.596 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.6 t -109.54 146.32 34.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 169.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.431 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 6.8 p90 -141.23 145.89 36.18 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 120.519 -0.473 . . . . 15.0 110.697 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.627 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.1 m-30 -89.64 97.37 11.16 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.075 -0.511 . . . . 15.0 109.894 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -89.64 120.67 31.12 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.15 -0.685 . . . . 15.0 109.15 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.735 HD22 ' HB3' ' A' ' 451' ' ' ARG . 43.2 t30 -95.23 127.07 40.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.01 -175.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.46 -11.47 58.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.342 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.735 ' HB3' HD22 ' A' ' 449' ' ' ASN . 41.3 ttm180 -73.79 -43.23 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.044 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 20.6 p -120.42 -0.09 10.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 15.0 112.05 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.94 43.6 21.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.502 0.667 . . . . 15.0 110.406 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.51 145.29 41.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.601 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 38.5 p -90.21 101.14 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.973 -0.558 . . . . 15.0 109.872 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 87.0 m -89.98 130.63 36.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.955 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.464 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 86.9 m95 -116.05 -3.8 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 15.0 111.102 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.469 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.0 mp0 -101.2 146.06 28.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.433 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -85.49 108.76 17.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.361 -0.607 . . . . 15.0 109.361 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 14.4 Cg_exo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 122.26 1.973 . . . . 15.0 112.159 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 121.053 0.454 . . . . 15.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.442 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 55.1 m95 -99.25 123.39 43.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.8 -0.637 . . . . 15.0 110.492 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 92.4 m -94.99 113.38 25.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.926 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -89.99 105.69 17.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 445' ' ' THR . 17.8 ttt180 -96.02 111.91 23.79 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.783 -0.767 . . . . 15.0 110.023 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.746 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.88 97.83 11.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.792 0.806 . . . . 15.0 109.757 -179.532 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 29.5 m -90.04 134.62 34.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.678 -1.147 . . . . 15.0 109.89 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.47 1.29 1.73 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.102 -0.499 . . . . 15.0 112.081 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -80.31 -7.35 59.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.732 . . . . 15.0 110.203 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 39.04 6.21 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.675 -0.693 . . . . 15.0 112.382 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -149.88 130.06 13.63 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.261 0.553 . . . . 15.0 111.236 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 3.3 m -103.85 144.76 31.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.038 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.65 147.19 27.8 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.205 -0.598 . . . . 15.0 111.146 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.8 m-85 -90.11 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.754 -0.657 . . . . 15.0 109.966 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.31 121.1 31.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.925 -0.769 . . . . 15.0 108.925 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.442 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.4 t-20 -89.88 111.43 22.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.917 -174.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -80.08 -18.81 48.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.144 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -89.08 -25.8 21.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.249 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.653 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.1 m -118.78 -2.99 10.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.587 -0.279 . . . . 15.0 111.45 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.92 45.24 18.56 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.117 0.484 . . . . 15.0 111.359 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.653 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 pt-20 -132.94 150.13 52.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.705 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -93.55 108.22 19.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.931 0.396 . . . . 15.0 110.375 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 m -94.55 124.41 38.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.57 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -110.85 -5.71 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.15 0.5 . . . . 15.0 110.562 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.48 149.42 26.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.166 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 460' ' ' PRO . 17.1 tppt? -62.68 112.69 7.09 Favored Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.027 0.205 . . . . 15.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.448 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.991 2.461 . . . . 15.0 112.422 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.513 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 18.5 tp10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.626 0.727 . . . . 15.0 109.391 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -95.04 101.62 13.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.931 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.671 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 91.3 m -89.84 122.22 32.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.506 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.407 ' CD ' ' HZ3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.02 100.07 12.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.786 0.803 . . . . 15.0 108.87 173.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.594 ' O ' ' HA ' ' A' ' 445' ' ' THR . 16.8 mtp180 -90.22 94.87 9.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.159 -172.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.779 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.71 100.41 13.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.428 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.3 p -89.79 149.89 22.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.68 -1.145 . . . . 15.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.99 -6.76 13.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.43 -12.63 58.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.813 -0.63 . . . . 15.0 110.038 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 36.23 7.26 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.575 -0.739 . . . . 15.0 112.102 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.09 0.472 . . . . 15.0 111.214 -178.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 12.5 t -104.11 146.38 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.162 173.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -148.24 143.26 26.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.811 -0.44 . . . . 15.0 109.811 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -90.11 101.12 13.83 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.392 0.615 . . . . 15.0 109.605 -173.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -89.75 125.6 35.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.404 -0.816 . . . . 15.0 109.81 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.97 117.71 28.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.437 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.74 -12.52 57.48 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.453 -0.499 . . . . 15.0 110.772 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.513 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 57.9 mtp180 -58.15 -57.13 14.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 15.0 111.339 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 p -112.56 -1.45 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.868 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.31 35.51 5.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.599 0.562 . . . . 15.0 111.24 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.01 148.25 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 15.0 110.418 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 t -94.27 121.36 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 15.0 110.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -103.22 116.27 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.744 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.01 -6.8 21.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.707 0.765 . . . . 15.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.16 129.06 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.953 -1.022 . . . . 15.0 109.887 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -76.44 116.35 55.56 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-O 120.749 0.309 . . . . 15.0 110.949 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 123.142 2.562 . . . . 15.0 112.071 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.755 0.312 . . . . 15.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -121.19 109.24 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.332 -173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.7 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.1 m -89.93 128.6 36.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.313 177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 12.6 pt-20 -89.79 106.88 18.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.507 -0.923 . . . . 15.0 108.507 174.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.498 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 52.3 mtp180 -96.81 99.32 10.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -89.8 101.53 14.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.361 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.1 p -89.68 149.11 22.92 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.435 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.05 2.79 3.22 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.794 -0.639 . . . . 15.0 112.109 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.36 -6.06 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.699 0.762 . . . . 15.0 109.67 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.24 16.1 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.538 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -142.6 126.86 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.294 0.568 . . . . 15.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.5 t -102.67 147.89 26.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.382 -0.827 . . . . 15.0 109.022 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.498 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 24.8 p90 -142.02 140.55 32.67 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 436' ' ' THR . 15.8 m-85 -89.75 99.7 12.65 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.148 0.499 . . . . 15.0 110.292 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.46 125.54 35.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.207 -0.664 . . . . 15.0 109.207 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -117.51 135.36 53.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.178 -0.465 . . . . 15.0 112.059 -173.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -88.89 -14.53 36.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.406 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -70.13 -41.02 74.46 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.867 0.365 . . . . 15.0 111.279 -176.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 p -115.17 -0.39 13.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.679 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.55 30.31 15.12 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.58 -0.736 . . . . 15.0 111.275 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.32 149.87 28.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.074 0.464 . . . . 15.0 111.11 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 p -90.43 105.86 18.1 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.909 -0.774 . . . . 15.0 108.909 168.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.8 m -89.67 111.01 21.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.011 -0.541 . . . . 15.0 111.07 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -97.68 -1.22 44.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.513 0.673 . . . . 15.0 109.431 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mm-40 -78.88 129.07 34.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.635 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.41 108.84 13.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.23 1.954 . . . . 15.0 111.802 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 121.015 0.436 . . . . 15.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 69.4 m95 -91.04 124.63 35.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.606 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -89.8 123.04 33.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.83 0.347 . . . . 15.0 110.235 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.54 97.68 11.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.669 -0.864 . . . . 15.0 108.669 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.8 mtt180 -90.61 102.01 14.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.839 -169.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -94.6 97.92 10.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.907 -1.042 . . . . 15.0 110.146 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.871 -1.059 . . . . 15.0 110.916 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.82 -9.88 23.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.706 -0.679 . . . . 15.0 111.425 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.12 -9.65 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.469 0.652 . . . . 15.0 110.076 175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 40.88 5.66 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.696 -0.684 . . . . 15.0 112.284 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -150.13 134.27 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.065 0.46 . . . . 15.0 110.949 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 94.5 m -112.78 136.1 52.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.677 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -145.39 139.46 26.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.557 0.218 . . . . 15.0 110.728 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -90.1 96.43 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.261 0.553 . . . . 15.0 110.634 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -95.79 131.71 41.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.068 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.455 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.5 t-20 -137.73 133.73 34.48 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.38 -0.79 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.64 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -52.85 -50.84 62.95 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.225 0.536 . . . . 15.0 110.357 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.4 p -119.95 -0.16 10.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.678 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.18 34.06 11.29 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.584 -0.734 . . . . 15.0 110.799 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.93 149.99 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.299 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.5 p -94.33 114.99 27.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.513 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 12.8 m -90.31 115.98 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.806 -176.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -105.17 -25.98 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.527 -0.761 . . . . 15.0 109.866 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.69 131.89 35.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.99 177.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.83 121.33 64.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.54 -0.17 . . . . 15.0 110.54 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.447 2.765 . . . . 15.0 112.753 -179.114 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.665 0.269 . . . . 15.0 111.543 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -119.14 103.24 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.391 . . . . 15.0 109.943 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.624 HG22 ' HG3' ' A' ' 438' ' ' ARG . 74.5 m -94.46 109.89 21.73 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.786 -0.366 . . . . 15.0 110.526 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.605 ' HB2' ' HG1' ' A' ' 445' ' ' THR . 5.4 pt-20 -89.77 105.08 17.56 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 171.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.624 ' HG3' HG22 ' A' ' 436' ' ' THR . 38.7 mtt180 -89.97 116.5 28.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.558 -1.201 . . . . 15.0 110.532 -170.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' A' ' 439' ' ' LYS . 6.3 mtpm? -89.77 102.43 15.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.796 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.5 p -89.92 149.82 22.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.676 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.72 62.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.22 -13.03 33.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.381 0.61 . . . . 15.0 110.779 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 34.58 8.18 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.483 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.554 ' HZ2' ' HB3' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -136.59 135.17 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.985 0.422 . . . . 15.0 110.142 179.005 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.605 ' HG1' ' HB2' ' A' ' 437' ' ' GLU . 11.3 t -110.52 147.82 33.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.606 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -142.33 142.4 32.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.776 -0.37 . . . . 15.0 110.76 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.781 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.7 m-85 -89.96 98.51 11.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.75 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -89.93 118.85 29.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 453' ' ' ALA . 13.9 t-20 -115.7 132.92 56.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.47 -0.787 . . . . 15.0 110.87 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.5 -4.16 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.934 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -70.66 -48.92 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.841 0.353 . . . . 15.0 110.861 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -120.08 -1.64 10.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.182 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 449' ' ' ASN . . . 62.15 83.89 0.15 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.829 0.706 . . . . 15.0 110.428 -174.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 149.98 36.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.056 -173.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -116.89 95.25 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.87 0.843 . . . . 15.0 110.158 173.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.781 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 94.4 m -93.07 112.73 24.78 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.979 -1.009 . . . . 15.0 111.227 -174.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.6 -6.07 50.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.95 0.405 . . . . 15.0 111.563 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.38 125.28 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.231 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -76.87 120.19 80.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.908 2.405 . . . . 15.0 112.039 178.392 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.231 0.083 0 N-CA-C 111.706 0.262 . . . . 15.0 111.706 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.41 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 12.3 m95 -105.23 112.09 25.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.996 0.427 . . . . 15.0 111.775 -170.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.3 m -108.77 119.64 40.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.321 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.65 112.4 23.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.993 -0.743 . . . . 15.0 108.993 175.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.516 ' O ' ' HA ' ' A' ' 445' ' ' THR . 37.8 mtp180 -103.88 107.34 18.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.119 -170.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.687 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.93 92.92 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.181 0.991 . . . . 15.0 110.237 -175.469 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 442' ' ' ASP . 70.0 p -89.85 138.54 31.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.153 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.12 9.9 0.37 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.813 -177.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 440' ' ' THR . 13.9 t70 -79.82 -0.69 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.609 0.718 . . . . 15.0 109.317 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.26 26.95 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.514 -0.766 . . . . 15.0 112.521 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -149.98 129.47 13.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.514 0.673 . . . . 15.0 112.131 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 52.0 m -105.41 134.31 48.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.086 -0.961 . . . . 15.0 108.641 172.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.49 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 19.7 p90 -138.55 147.89 43.59 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.196 -0.602 . . . . 15.0 111.103 -171.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 436' ' ' THR . 18.8 m-85 -91.04 112.63 24.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.047 -176.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -89.76 126.19 35.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 49.7 t-20 -89.74 107.74 19.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.909 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.248 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.91 -28.05 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.504 -0.317 . . . . 15.0 111.143 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -118.73 -8.34 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.903 -0.319 . . . . 15.0 111.411 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.67 22.09 10.5 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.407 0.623 . . . . 15.0 110.453 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.4 pt-20 -99.66 150.22 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.359 -175.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -89.83 114.93 26.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.19 0.519 . . . . 15.0 109.892 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.0 m -99.67 117.44 34.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.195 -174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -109.02 2.78 21.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.371 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.441 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 3.5 pt-20 -99.39 142.53 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 15.0 110.509 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -77.27 117.92 68.51 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.848 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.823 2.349 . . . . 15.0 111.754 174.217 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.662 ' HA ' HD22 ' A' ' 450' ' ' ASN . 4.0 mp0 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 111.743 0.275 . . . . 15.0 111.743 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 37.8 m95 -120.11 107.33 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.112 0.482 . . . . 15.0 111.274 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.7 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 74.5 m -89.91 129.26 36.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.154 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 7.6 pt-20 -89.93 111.5 22.58 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.247 -1.02 . . . . 15.0 108.247 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.595 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 40.2 mtp180 -99.53 114.4 27.38 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 119.636 -0.826 . . . . 15.0 109.357 -174.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -89.72 94.01 9.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.318 -0.856 . . . . 15.0 109.893 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 136.98 32.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.59 -1.186 . . . . 15.0 110.438 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -74.93 4.38 6.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 110.98 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.15 0.39 45.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.461 -0.79 . . . . 15.0 109.612 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.47 34.74 10.06 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.6 -0.727 . . . . 15.0 112.302 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HD3' ' HH2' ' A' ' 457' ' ' TRP . 13.0 ptpt -150.05 123.29 8.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.407 0.622 . . . . 15.0 112.084 -177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 68.0 m -95.29 134.24 38.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.675 171.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.595 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 23.2 p90 -139.62 142.41 37.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 119.839 -0.744 . . . . 15.0 110.737 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 436' ' ' THR . 29.7 m-85 -90.09 111.43 22.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.541 -0.754 . . . . 15.0 110.187 -176.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -89.8 122.33 32.77 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.606 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.596 HD22 ' HB2' ' A' ' 451' ' ' ARG . 10.8 t-20 -89.64 120.41 30.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.317 -0.856 . . . . 15.0 110.416 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.662 HD22 ' HA ' ' A' ' 434' ' ' GLU . 9.6 p30 -92.7 -5.38 51.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.692 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.596 ' HB2' HD22 ' A' ' 449' ' ' ASN . 3.7 mmp_? -72.45 -53.74 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.419 . . . . 15.0 111.211 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.4 t -120.02 -0.01 10.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.782 -0.644 . . . . 15.0 110.524 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.5 85.06 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.621 0.724 . . . . 15.0 110.593 -174.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.17 142.23 23.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.077 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.6 p -90.05 109.35 20.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.171 0.51 . . . . 15.0 109.78 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.433 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 21.3 m -93.59 108.58 20.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.422 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.431 ' HH2' ' HD3' ' A' ' 444' ' ' LYS . 88.3 m95 -106.19 -2.46 22.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.296 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 6.0 pt-20 -90.3 138.64 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.713 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.51 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 57.3 tptt -89.47 113.18 55.6 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.095 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.51 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 67.8 Cg_endo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.788 2.325 . . . . 15.0 111.69 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.07 0.462 . . . . 15.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -91.75 -16.21 27.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.966 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -89.92 120.94 31.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.7 -0.481 . . . . 15.0 109.7 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.9 m -91.89 124.91 36.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.708 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 9.1 pt-20 -89.74 113.44 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 173.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 445' ' ' THR . 57.7 mtp180 -92.3 111.14 22.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.644 -173.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -89.97 92.08 8.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.012 -0.995 . . . . 15.0 110.038 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.1 p -89.99 137.34 32.42 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.508 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.62 5.0 1.57 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.358 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.24 -5.12 40.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 15.0 110.013 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 32.51 9.62 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.393 -0.821 . . . . 15.0 112.638 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 10.8 pttm -150.12 137.3 19.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.001 0.429 . . . . 15.0 111.375 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -113.68 144.14 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.938 -0.764 . . . . 15.0 108.938 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.511 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 12.1 p90 -144.69 140.41 28.59 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.83 -0.348 . . . . 15.0 110.665 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.8 m-85 -89.81 92.16 8.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 15.0 110.068 -174.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -91.1 124.97 35.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.606 -0.725 . . . . 15.0 110.131 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -136.89 133.16 35.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.736 -0.839 . . . . 15.0 108.736 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.78 -14.94 62.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.881 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.52 -39.59 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.454 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 m -112.99 -9.0 13.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.186 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.64 27.17 16.88 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.859 -0.609 . . . . 15.0 110.373 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.69 150.19 49.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.782 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.1 p -90.0 115.05 26.99 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.576 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 33.4 m -90.0 128.36 36.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.243 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.468 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 37.1 m95 -104.6 -20.96 13.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.18 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 8.7 tp10 -69.14 149.36 48.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.464 -0.789 . . . . 15.0 110.439 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.902 ' HE3' ' HA ' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -79.35 113.85 40.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 15.0 111.083 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 5.2 Cg_exo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.447 2.098 . . . . 15.0 111.301 172.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.094 0.474 . . . . 15.0 110.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.702 ' HG3' HD22 ' A' ' 450' ' ' ASN . 41.5 tt0 -106.8 -6.38 17.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 15.0 110.987 -173.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.528 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 13.1 m95 -105.18 113.45 27.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 15.0 111.165 -173.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.4 m -89.92 130.49 36.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.757 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 3.1 pt-20 -89.85 111.38 22.39 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 170.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -101.42 96.44 7.16 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.804 -0.758 . . . . 15.0 109.308 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 34.7 ttmt -98.95 93.98 6.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.523 -1.217 . . . . 15.0 110.326 -173.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.2 p -89.65 150.04 22.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.547 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.24 4.95 2.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 15.0 112.072 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -7.45 56.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.783 0.801 . . . . 15.0 109.214 172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.22 33.8 8.54 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.251 -0.886 . . . . 15.0 112.118 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -135.82 130.59 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.481 . . . . 15.0 110.965 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.1 m -117.89 129.5 55.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -143.91 150.24 38.08 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.513 -0.475 . . . . 15.0 110.871 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.625 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-30 -89.77 110.27 21.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.505 . . . . 15.0 109.797 -175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -89.92 125.22 35.28 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.528 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.9 t-20 -89.88 107.96 19.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.052 -0.721 . . . . 15.0 109.052 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.702 HD22 ' HG3' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.14 -3.26 54.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.866 -175.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 451' ' ' ARG . 38.0 ttp180 -83.19 -47.45 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.108 0.48 . . . . 15.0 110.06 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.9 p -105.61 -6.01 19.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.293 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.68 27.96 7.47 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.562 -0.745 . . . . 15.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.4 pt-20 -100.87 150.2 23.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.664 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.7 p -89.89 111.87 23.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.6 m -101.24 105.63 16.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.274 0.559 . . . . 15.0 110.863 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -94.95 -12.57 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.385 0.612 . . . . 15.0 110.025 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.73 106.64 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.283 -0.871 . . . . 15.0 108.961 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.448 ' HB2' ' HZ1' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -99.5 116.67 64.77 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.6 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.794 2.33 . . . . 15.0 111.24 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.294 0.569 . . . . 15.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.51 -12.51 24.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.465 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -99.14 114.88 27.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.39 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 438' ' ' ARG . 53.5 m -96.6 119.87 35.86 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.248 173.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -90.03 109.33 20.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.312 -0.996 . . . . 15.0 108.312 174.394 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' A' ' 436' ' ' THR . 16.6 mtp180 -101.76 97.28 7.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.279 0.562 . . . . 15.0 110.542 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.684 ' HZ3' ' HB3' ' A' ' 439' ' ' LYS . 0.3 OUTLIER -91.26 101.74 14.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.575 179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.84 147.2 23.92 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.904 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.22 -7.23 1.8 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.061 0.763 . . . . 15.0 113.061 -172.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.18 -10.03 51.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.439 0.637 . . . . 15.0 109.965 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 31.22 11.02 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.515 -0.766 . . . . 15.0 112.321 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.5 ' HD2' ' CH2' ' A' ' 457' ' ' TRP . 9.9 pttm -140.18 127.64 21.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 15.0 111.413 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 17.0 m -105.45 144.73 31.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.036 -0.984 . . . . 15.0 109.719 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -146.06 139.09 25.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.6 m-85 -89.75 109.17 20.18 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -89.37 121.36 31.54 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.534 HD21 ' N ' ' A' ' 449' ' ' ASN . 0.7 OUTLIER -89.9 115.16 27.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.043 -0.98 . . . . 15.0 109.382 -178.245 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -76.26 -20.31 57.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 15.0 110.854 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -84.87 -26.08 27.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.564 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.8 p -120.02 -2.73 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.126 0.417 . . . . 15.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 59.72 37.02 22.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.36 0.412 . . . . 15.0 111.474 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' A' ' 449' ' ' ASN . 11.6 pt-20 -118.62 150.29 39.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.682 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -99.35 105.59 17.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 170.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.9 m -89.92 115.97 27.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.698 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.5 ' CH2' ' HD2' ' A' ' 444' ' ' LYS . 72.5 m95 -99.67 -2.26 35.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.565 0.698 . . . . 15.0 110.024 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 7.3 mm-40 -81.59 120.43 25.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.744 -1.116 . . . . 15.0 108.693 174.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 459' ' ' LYS . 8.3 tmtm? -78.51 117.06 64.17 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.837 0.351 . . . . 15.0 110.799 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 73.9 Cg_endo . . . . . 0 C--O 1.246 0.899 0 C-N-CA 123.044 2.496 . . . . 15.0 111.348 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 110.072 -0.344 . . . . 15.0 110.072 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -82.8 -11.57 58.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 15.0 110.89 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -101.52 107.14 18.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.721 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -89.97 123.22 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 15.0 110.602 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 7.5 pt-20 -90.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.445 176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 445' ' ' THR . 35.7 mtp180 -93.67 101.64 13.79 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 119.973 -0.691 . . . . 15.0 109.673 -172.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.77 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.0 100.44 13.26 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.163 -176.573 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.6 p -89.76 150.12 22.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.778 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.04 4.08 2.33 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.356 0.873 . . . . 15.0 113.356 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.68 -10.07 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.779 0.799 . . . . 15.0 109.036 171.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 32.37 9.69 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.654 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -136.11 117.58 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.558 0.694 . . . . 15.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 34.1 m -100.04 146.21 27.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.113 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.485 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 25.5 p90 -146.49 145.3 30.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.837 -0.345 . . . . 15.0 110.121 -177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.721 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.2 m-85 -91.9 108.48 19.95 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.475 0.655 . . . . 15.0 111.136 -175.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.92 114.58 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.863 -1.062 . . . . 15.0 108.66 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 451' ' ' ARG . 45.1 t30 -118.97 144.73 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.405 -176.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.3 7.91 25.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.023 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.463 ' HB2' HD22 ' A' ' 449' ' ' ASN . 33.9 mmt180 -61.75 -48.61 79.89 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.818 -0.353 . . . . 15.0 110.722 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.449 ' HG1' ' CD ' ' A' ' 454' ' ' GLU . 73.1 p -120.03 0.38 10.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.052 168.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 76.9 43.59 0.12 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.868 0.867 . . . . 15.0 109.846 -174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.449 ' CD ' ' HG1' ' A' ' 452' ' ' THR . 1.7 pm0 -100.66 145.99 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.323 -175.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.7 p -98.18 112.43 24.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.618 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 29.1 m -101.63 124.22 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.062 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -112.53 -1.83 14.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.27 0.557 . . . . 15.0 110.308 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 33.7 tt0 -86.1 136.33 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.429 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.585 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 54.9 tptt -87.48 115.05 61.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.743 0.306 . . . . 15.0 111.372 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.585 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 42.4 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.945 2.43 . . . . 15.0 111.208 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.842 0.353 . . . . 15.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -105.55 9.84 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.255 0.55 . . . . 15.0 110.087 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -97.91 129.81 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.439 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.725 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.9 m -89.72 123.41 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.305 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -101.04 108.09 19.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 445' ' ' THR . 40.3 mtt180 -106.14 106.14 16.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.852 -0.739 . . . . 15.0 110.115 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.444 ' HB3' ' HE2' ' A' ' 439' ' ' LYS . 6.5 ptpt -90.03 97.92 11.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.896 -174.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 442' ' ' ASP . 41.1 p -89.58 147.3 24.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.715 -1.13 . . . . 15.0 110.716 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.41 14.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.233 0.827 . . . . 15.0 113.233 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.549 ' HB3' ' HG2' ' A' ' 444' ' ' LYS . 30.6 t70 -84.42 -6.46 59.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.638 0.732 . . . . 15.0 109.541 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 23.12 32.86 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 442' ' ' ASP . 21.9 pttp -139.51 130.95 26.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.207 0.527 . . . . 15.0 110.929 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.5 t -103.34 149.98 24.23 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.421 -0.955 . . . . 15.0 108.421 170.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.515 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 19.3 p90 -129.14 134.02 47.87 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 119.566 -0.854 . . . . 15.0 110.533 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.725 ' HA ' ' O ' ' A' ' 436' ' ' THR . 27.6 m-85 -89.94 111.94 23.16 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.102 -0.954 . . . . 15.0 109.659 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.513 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 22.0 t80 -89.68 122.51 32.87 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.879 -0.6 . . . . 15.0 109.54 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.98 116.45 28.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.43 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.7 -13.32 59.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.215 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -84.13 -32.86 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.396 -0.366 . . . . 15.0 111.221 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 p -120.3 -1.9 10.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.413 -0.358 . . . . 15.0 111.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 61.67 32.06 18.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.988 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.88 150.5 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.608 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.1 p -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.123 0.487 . . . . 15.0 109.936 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.0 m -92.73 119.4 32.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 15.0 110.196 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.515 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 76.5 m95 -104.74 0.83 28.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.153 0.501 . . . . 15.0 110.865 -177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.518 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 40.1 mt-10 -88.31 139.97 29.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.119 175.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.763 ' HE3' ' HD2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -69.83 110.32 6.34 Favored Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.287 0.367 . . . . 15.0 111.709 -174.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.763 ' HD2' ' HE3' ' A' ' 459' ' ' LYS . 35.6 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.202 2.601 . . . . 15.0 111.561 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.597 ' HB3' HD22 ' A' ' 449' ' ' ASN . 22.8 mt-10 -71.66 -33.11 68.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.039 0.447 . . . . 15.0 111.343 -175.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.493 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 50.3 m95 -91.03 100.46 13.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 15.0 110.174 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.0 m -90.15 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 15.0 111.249 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -89.74 119.33 30.04 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 445' ' ' THR . 45.5 mtp180 -98.73 114.17 26.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.122 -0.49 . . . . 15.0 109.783 -175.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.705 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.86 90.08 8.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.845 0.831 . . . . 15.0 109.46 -177.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.472 HG22 ' H ' ' A' ' 442' ' ' ASP . 41.9 m -89.87 132.32 35.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.846 -1.07 . . . . 15.0 110.035 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.13 -1.28 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.301 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 440' ' ' THR . 36.1 t70 -78.27 -2.62 38.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.451 0.643 . . . . 15.0 110.349 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 38.8 6.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.862 -0.685 . . . . 15.0 112.585 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -150.08 121.74 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.104 0.478 . . . . 15.0 111.226 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.4 m -106.25 131.08 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 173.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.89 148.22 32.61 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.829 -0.348 . . . . 15.0 110.835 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.67 ' HA ' ' O ' ' A' ' 436' ' ' THR . 20.5 m-85 -89.94 101.97 14.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 15.0 110.88 -175.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -106.13 131.86 52.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.022 -0.535 . . . . 15.0 109.782 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.597 HD22 ' HB3' ' A' ' 434' ' ' GLU . 53.8 t-20 -123.68 129.55 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.834 0.35 . . . . 15.0 110.471 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -6.49 34.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.857 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -55.64 31.21 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.085 0.469 . . . . 15.0 110.702 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -120.14 0.32 10.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.495 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.29 43.05 4.96 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.055 -1.091 . . . . 15.0 108.055 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.12 124.18 34.59 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.122 -1.399 . . . . 15.0 110.122 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.1 p -98.16 102.68 14.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.215 0.531 . . . . 15.0 110.113 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.643 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 32.1 m -91.14 109.3 20.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 15.0 110.149 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -103.83 -10.32 18.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.448 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 1.8 pm0 -88.94 149.99 23.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.529 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.455 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 55.5 tptt -86.83 113.93 55.63 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.632 -0.258 . . . . 15.0 110.675 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.455 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.917 2.411 . . . . 15.0 111.284 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.027 0.442 . . . . 15.0 110.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -104.14 -6.23 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.646 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HZ3' HD21 ' A' ' 449' ' ' ASN . 77.1 m95 -126.22 114.2 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.358 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.607 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.3 m -89.79 112.78 24.19 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 15.0 110.206 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 124.07 34.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.526 -1.287 . . . . 15.0 107.526 171.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.63 ' O ' ' HA ' ' A' ' 445' ' ' THR . 15.3 mtt180 -112.86 105.08 13.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 120.007 -0.677 . . . . 15.0 110.413 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -89.94 92.56 9.05 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.221 -0.899 . . . . 15.0 109.146 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.4 p -89.88 146.65 24.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.138 -0.937 . . . . 15.0 110.492 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.58 12.76 0.93 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.541 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.403 ' HB3' ' HE2' ' A' ' 444' ' ' LYS . 29.8 t70 -85.54 -3.9 59.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.654 0.74 . . . . 15.0 109.264 175.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 35.7 7.5 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.162 -0.926 . . . . 15.0 112.005 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 442' ' ' ASP . 33.5 pttt -150.11 121.53 7.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.216 0.531 . . . . 15.0 111.407 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 54.7 m -102.04 127.44 48.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 170.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -129.89 141.01 50.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.871 -0.732 . . . . 15.0 110.9 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.607 ' HA ' ' O ' ' A' ' 436' ' ' THR . 21.2 m-85 -98.2 113.55 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.176 -174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -89.56 126.75 35.73 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.179 0.514 . . . . 15.0 109.667 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.407 HD21 ' HZ3' ' A' ' 435' ' ' TRP . 16.6 t-20 -89.88 113.49 25.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.352 -0.84 . . . . 15.0 110.078 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.88 1.87 54.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.53 -0.305 . . . . 15.0 110.906 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -73.58 -52.19 14.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.831 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.052 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.79 76.34 0.27 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.962 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.98 150.26 31.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.214 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 p -89.91 110.83 21.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.31 0.576 . . . . 15.0 110.2 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -90.33 102.01 14.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.086 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -93.45 3.5 55.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.854 0.835 . . . . 15.0 109.093 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 28.1 mt-10 -87.73 134.79 33.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.763 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -72.05 113.21 18.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.732 0.301 . . . . 15.0 111.15 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 71.9 Cg_endo . . . . . 0 C--O 1.246 0.925 0 C-N-CA 122.991 2.46 . . . . 15.0 111.625 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 121.014 0.435 . . . . 15.0 110.258 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.73 ' HG3' HD22 ' A' ' 449' ' ' ASN . 10.4 tp10 -86.14 -30.53 22.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.243 0.544 . . . . 15.0 110.398 -175.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.578 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 64.4 m95 -99.86 126.93 46.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.357 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.653 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.5 m -89.95 125.64 35.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 15.0 111.193 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -89.75 113.63 25.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' A' ' 445' ' ' THR . 65.0 mtp180 -101.39 105.22 16.23 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.437 -0.505 . . . . 15.0 110.057 -174.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -92.24 89.93 7.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.648 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.0 t -91.07 144.22 25.88 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.027 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.5 -4.37 3.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.76 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.49 -12.59 45.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.494 0.664 . . . . 15.0 109.962 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.3 34.43 8.08 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.288 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 15.8 pttm -146.27 127.8 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.135 0.493 . . . . 15.0 111.326 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 73.5 m -108.89 126.25 52.86 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.479 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 12.0 p90 -136.82 144.14 43.51 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 120.508 -0.477 . . . . 15.0 110.236 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 436' ' ' THR . 30.1 m-85 -90.56 89.72 7.68 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.4 0.619 . . . . 15.0 109.941 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 3.9 t80 -94.09 128.51 40.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.433 -0.803 . . . . 15.0 109.195 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.73 HD22 ' HG3' ' A' ' 434' ' ' GLU . 38.6 t-20 -127.13 134.13 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.936 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -67.51 -21.52 65.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.099 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -71.1 -19.81 62.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.389 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.7 p -120.05 -10.03 9.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.922 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 55.4 28.6 11.75 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.065 0.46 . . . . 15.0 110.465 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -137.79 150.17 46.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.21 -170.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 10.2 p -95.49 119.31 33.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 15.0 111.031 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 32.0 m -95.93 128.42 42.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.978 -0.555 . . . . 15.0 109.953 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.572 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 72.1 m95 -102.51 -22.3 14.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.267 0.556 . . . . 15.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.01 130.41 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 15.0 110.492 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -74.15 113.34 22.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.257 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.768 2.312 . . . . 15.0 111.906 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.89 0.376 . . . . 15.0 110.086 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.473 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 1.7 mp0 -83.46 3.06 33.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.036 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 103.81 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.277 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -95.81 122.21 38.36 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.075 -0.25 . . . . 15.0 111.002 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -89.78 108.61 19.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 436' ' ' THR . 68.9 mtp180 -95.74 101.46 13.15 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.056 -173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -89.83 96.02 10.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.485 -0.779 . . . . 15.0 109.698 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.6 p -89.71 148.0 23.53 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.249 -0.887 . . . . 15.0 111.497 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.31 -2.49 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.605 -0.725 . . . . 15.0 111.452 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.29 -8.1 36.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.717 0.77 . . . . 15.0 109.651 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 26.42 24.26 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.434 -0.803 . . . . 15.0 111.994 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -149.04 134.29 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.382 0.611 . . . . 15.0 111.332 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -107.53 145.41 33.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.147 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.9 p90 -143.61 137.69 28.5 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.077 0.465 . . . . 15.0 110.374 -177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.768 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.4 m-85 -89.73 99.07 12.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.871 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -89.41 111.61 22.53 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.757 -0.831 . . . . 15.0 108.757 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.687 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.0 t30 -95.24 124.94 39.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.84 -1.073 . . . . 15.0 110.757 -176.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.87 -15.08 59.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.544 ' HB2' HD22 ' A' ' 449' ' ' ASN . 32.7 mtp180 -74.65 -36.29 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 15.0 111.736 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 m -120.21 -8.17 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.933 -0.307 . . . . 15.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.18 34.94 13.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.519 0.676 . . . . 15.0 109.675 -171.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.687 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -103.72 150.26 24.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.083 -0.962 . . . . 15.0 110.481 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.8 t -101.54 107.91 19.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.442 0.639 . . . . 15.0 109.767 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.768 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 53.3 m -89.97 121.18 31.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.994 -1.003 . . . . 15.0 110.007 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 97.8 m95 -106.78 0.19 23.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.951 0.405 . . . . 15.0 111.273 -175.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.98 135.03 50.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.687 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -74.03 116.67 54.65 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.631 -0.507 . . . . 15.0 109.631 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 122.509 2.139 . . . . 15.0 111.909 -179.37 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.896 0.379 . . . . 15.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.7 OUTLIER -79.15 -21.3 46.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.936 -179.148 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -94.74 107.87 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.43 -0.581 . . . . 15.0 109.43 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.666 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.6 m -89.81 127.35 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.308 -0.405 . . . . 15.0 111.533 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.9 114.19 25.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.511 -0.922 . . . . 15.0 108.511 173.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.606 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.9 mtp180 -102.16 108.9 20.44 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.357 -0.608 . . . . 15.0 109.357 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.87 95.14 10.1 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 122.135 0.969 . . . . 15.0 110.099 -176.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 442' ' ' ASP . 99.0 m -89.77 132.08 35.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.136 -1.393 . . . . 15.0 110.311 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.04 0.88 3.13 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.518 ' H ' HG22 ' A' ' 440' ' ' THR . 18.1 t70 -76.43 -5.52 47.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 15.0 110.199 176.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 36.26 7.3 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.678 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -145.07 113.44 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.291 0.567 . . . . 15.0 111.571 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.8 m -99.83 140.91 33.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 170.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.606 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 7.7 p90 -149.28 145.13 26.91 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.465 -0.494 . . . . 15.0 110.618 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.666 ' HA ' ' O ' ' A' ' 436' ' ' THR . 24.1 m-85 -90.01 96.38 10.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.411 -176.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.82 121.76 32.26 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.307 -0.627 . . . . 15.0 109.307 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.485 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 16.3 t-20 -128.5 136.69 51.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.014 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -81.76 -19.75 40.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.765 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.485 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -67.01 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.399 0.618 . . . . 15.0 109.604 178.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.503 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 23.7 p -104.05 -25.02 13.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.536 174.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.68 35.26 9.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.217 -0.901 . . . . 15.0 110.593 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.503 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 2.4 pp20? -146.83 150.18 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.581 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 m -89.82 119.44 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.24 -0.437 . . . . 15.0 110.469 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.4 m -89.78 124.36 34.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.018 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -102.57 -13.49 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.417 0.627 . . . . 15.0 109.854 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.37 150.01 23.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.033 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -75.4 119.06 75.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.708 0.289 . . . . 15.0 111.042 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--O 1.252 1.206 0 C-N-CA 122.894 2.396 . . . . 15.0 112.036 177.858 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.661 0.267 . . . . 15.0 110.33 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.76 90.88 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.418 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.53 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 71.7 m95 -135.05 114.06 12.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.717 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.8 m -90.12 122.78 33.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.33 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 0.3 OUTLIER -90.64 112.64 24.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.734 0.778 . . . . 15.0 109.494 170.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.657 ' O ' ' HA ' ' A' ' 445' ' ' THR . 44.7 mtt180 -94.39 115.63 27.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.518 -0.765 . . . . 15.0 110.715 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -89.72 96.65 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.257 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 68.8 p -90.0 148.71 22.91 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.838 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -72.49 6.31 2.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.289 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.06 -5.68 57.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.902 0.858 . . . . 15.0 108.845 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.3 36.58 8.08 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.906 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -150.11 133.04 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 15.0 111.058 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 10.8 t -108.7 135.73 49.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.494 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -128.31 144.24 51.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.802 -0.359 . . . . 15.0 110.717 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-30 -90.07 102.61 15.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.048 0.451 . . . . 15.0 110.133 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -89.64 123.35 33.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.13 0.491 . . . . 15.0 110.187 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.53 ' HB2' ' HZ3' ' A' ' 435' ' ' TRP . 43.7 t30 -91.67 126.33 36.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.365 -0.834 . . . . 15.0 111.155 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -88.07 -9.82 52.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.725 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.53 ' HB2' HD22 ' A' ' 449' ' ' ASN . 16.4 mmm180 -68.88 -47.58 65.52 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.843 0.354 . . . . 15.0 111.327 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.783 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.0 -0.09 10.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.148 -178.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.31 53.97 2.69 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.57 0.7 . . . . 15.0 110.18 -174.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.783 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.6 mt-10 -111.52 142.3 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.286 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 p -91.35 101.16 13.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.32 0.581 . . . . 15.0 109.948 171.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 447' ' ' TYR . 63.6 m -89.94 112.84 24.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.455 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -103.95 -0.16 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.998 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.72 123.0 48.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.912 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.82 115.38 12.6 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.694 -175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.803 2.335 . . . . 15.0 111.741 175.238 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.886 0.374 . . . . 15.0 111.265 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.4 OUTLIER -88.96 81.31 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.591 0.71 . . . . 15.0 110.464 179.144 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.427 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 75.6 m95 -103.77 117.98 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.018 -0.537 . . . . 15.0 110.329 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.1 m -90.3 128.67 36.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.025 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.67 108.48 19.7 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.489 ' O ' ' HA ' ' A' ' 445' ' ' THR . 71.8 mtp180 -89.87 106.06 18.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.452 -172.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -93.07 94.01 8.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.228 -1.351 . . . . 15.0 110.406 -172.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -89.85 145.93 24.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.791 -0.641 . . . . 15.0 110.306 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.79 -4.3 12.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.586 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.37 -8.47 40.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.583 0.706 . . . . 15.0 109.818 173.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 36.57 7.13 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.495 -0.775 . . . . 15.0 112.808 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -150.02 139.34 21.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 15.0 110.924 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 4.6 t -113.51 149.95 33.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.492 -0.558 . . . . 15.0 109.492 174.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -144.45 139.62 28.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.942 -0.392 . . . . 15.0 109.942 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.846 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 12.6 m-85 -89.8 98.69 11.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.52 . . . . 15.0 110.101 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.0 128.07 51.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.68 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.427 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 53.3 t-20 -133.12 132.62 41.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.92 -6.79 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.087 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.25 -48.68 65.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.485 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.5 m -119.95 -1.11 10.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.327 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.62 36.15 19.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.525 0.678 . . . . 15.0 109.935 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -104.24 142.09 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.9 -1.045 . . . . 15.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -92.15 114.74 27.36 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.655 -0.702 . . . . 15.0 109.374 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.846 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 m -89.92 115.34 27.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 15.0 110.269 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -109.94 -4.76 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.26 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -93.87 130.93 39.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.901 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 459' ' ' LYS . 29.3 mmmt -71.69 115.12 34.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.449 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 122.868 2.379 . . . . 15.0 111.603 175.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.614 0.245 . . . . 15.0 111.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.89 -11.75 21.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.927 0.394 . . . . 15.0 111.055 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -106.7 111.07 23.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 15.0 109.973 -176.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 44.3 m -95.01 128.86 42.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.083 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 2.5 pt-20 -89.47 115.89 27.24 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 171.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.599 ' O ' ' HA ' ' A' ' 445' ' ' THR . 18.0 ttt180 -96.23 98.8 10.59 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -89.61 94.0 9.69 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.631 0.729 . . . . 15.0 109.304 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.1 p -89.76 145.52 25.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.811 -1.086 . . . . 15.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.99 3.4 2.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.301 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -5.24 32.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.689 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 25.05 28.14 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.443 -0.798 . . . . 15.0 112.111 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.464 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 7.8 pttm -150.08 133.81 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.219 0.533 . . . . 15.0 111.596 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.6 t -109.54 146.32 34.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 169.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.431 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 6.8 p90 -141.23 145.89 36.18 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 120.519 -0.473 . . . . 15.0 110.697 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.627 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.1 m-30 -89.64 97.37 11.16 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.075 -0.511 . . . . 15.0 109.894 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -89.64 120.67 31.12 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.15 -0.685 . . . . 15.0 109.15 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.735 HD22 ' HB3' ' A' ' 451' ' ' ARG . 43.2 t30 -95.23 127.07 40.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.01 -175.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.46 -11.47 58.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.342 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.735 ' HB3' HD22 ' A' ' 449' ' ' ASN . 41.3 ttm180 -73.79 -43.23 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.044 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 20.6 p -120.42 -0.09 10.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 15.0 112.05 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.94 43.6 21.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.502 0.667 . . . . 15.0 110.406 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.51 145.29 41.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.601 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 38.5 p -90.21 101.14 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.973 -0.558 . . . . 15.0 109.872 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 87.0 m -89.98 130.63 36.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.955 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.464 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 86.9 m95 -116.05 -3.8 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 15.0 111.102 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.469 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.0 mp0 -101.2 146.06 28.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.433 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -85.49 108.76 17.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.361 -0.607 . . . . 15.0 109.361 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 14.4 Cg_exo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 122.26 1.973 . . . . 15.0 112.159 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.044 0.45 . . . . 15.0 110.574 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.97 -25.08 63.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.364 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.442 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 55.1 m95 -99.25 123.39 43.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.8 -0.637 . . . . 15.0 110.492 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 92.4 m -94.99 113.38 25.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.926 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -89.99 105.69 17.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 445' ' ' THR . 17.8 ttt180 -96.02 111.91 23.79 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.783 -0.767 . . . . 15.0 110.023 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.746 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.88 97.83 11.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.792 0.806 . . . . 15.0 109.757 -179.532 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 29.5 m -90.04 134.62 34.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.678 -1.147 . . . . 15.0 109.89 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.47 1.29 1.73 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.102 -0.499 . . . . 15.0 112.081 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -80.31 -7.35 59.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.732 . . . . 15.0 110.203 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 39.04 6.21 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.675 -0.693 . . . . 15.0 112.382 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -149.88 130.06 13.63 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.261 0.553 . . . . 15.0 111.236 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 3.3 m -103.85 144.76 31.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.038 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.65 147.19 27.8 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.205 -0.598 . . . . 15.0 111.146 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.8 m-85 -90.11 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.754 -0.657 . . . . 15.0 109.966 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.31 121.1 31.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.925 -0.769 . . . . 15.0 108.925 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.442 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.4 t-20 -89.88 111.43 22.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.917 -174.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -80.08 -18.81 48.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.144 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -89.08 -25.8 21.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.249 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.653 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.1 m -118.78 -2.99 10.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.587 -0.279 . . . . 15.0 111.45 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.92 45.24 18.56 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.117 0.484 . . . . 15.0 111.359 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.653 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 pt-20 -132.94 150.13 52.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.705 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -93.55 108.22 19.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.931 0.396 . . . . 15.0 110.375 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 m -94.55 124.41 38.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.57 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -110.85 -5.71 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.15 0.5 . . . . 15.0 110.562 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.48 149.42 26.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.166 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 460' ' ' PRO . 17.1 tppt? -62.68 112.69 7.09 Favored Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.027 0.205 . . . . 15.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.448 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.991 2.461 . . . . 15.0 112.422 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 120.668 0.27 . . . . 15.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.513 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 18.5 tp10 -90.41 -34.92 15.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 15.0 109.391 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -95.04 101.62 13.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.931 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.671 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 91.3 m -89.84 122.22 32.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.506 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.407 ' CD ' ' HZ3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.02 100.07 12.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.786 0.803 . . . . 15.0 108.87 173.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.594 ' O ' ' HA ' ' A' ' 445' ' ' THR . 16.8 mtp180 -90.22 94.87 9.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.159 -172.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.779 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.71 100.41 13.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.428 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.3 p -89.79 149.89 22.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.68 -1.145 . . . . 15.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.99 -6.76 13.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.43 -12.63 58.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.813 -0.63 . . . . 15.0 110.038 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 36.23 7.26 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.575 -0.739 . . . . 15.0 112.102 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.09 0.472 . . . . 15.0 111.214 -178.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 12.5 t -104.11 146.38 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.162 173.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -148.24 143.26 26.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.811 -0.44 . . . . 15.0 109.811 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -90.11 101.12 13.83 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.392 0.615 . . . . 15.0 109.605 -173.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -89.75 125.6 35.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.404 -0.816 . . . . 15.0 109.81 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.97 117.71 28.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.437 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.74 -12.52 57.48 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.453 -0.499 . . . . 15.0 110.772 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.513 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 57.9 mtp180 -58.15 -57.13 14.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 15.0 111.339 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 p -112.56 -1.45 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.868 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.31 35.51 5.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.599 0.562 . . . . 15.0 111.24 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.01 148.25 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 15.0 110.418 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 t -94.27 121.36 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 15.0 110.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -103.22 116.27 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.744 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.01 -6.8 21.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.707 0.765 . . . . 15.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.16 129.06 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.953 -1.022 . . . . 15.0 109.887 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -76.44 116.35 55.56 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-O 120.749 0.309 . . . . 15.0 110.949 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 123.142 2.562 . . . . 15.0 112.071 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 121.108 0.48 . . . . 15.0 110.113 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.32 -11.05 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 15.0 111.135 -171.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -121.19 109.24 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.332 -173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.7 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.1 m -89.93 128.6 36.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.313 177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 12.6 pt-20 -89.79 106.88 18.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.507 -0.923 . . . . 15.0 108.507 174.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.498 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 52.3 mtp180 -96.81 99.32 10.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -89.8 101.53 14.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.361 -175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.1 p -89.68 149.11 22.92 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.435 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.05 2.79 3.22 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.794 -0.639 . . . . 15.0 112.109 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.36 -6.06 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.699 0.762 . . . . 15.0 109.67 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.24 16.1 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.538 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -142.6 126.86 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.294 0.568 . . . . 15.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.5 t -102.67 147.89 26.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.382 -0.827 . . . . 15.0 109.022 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.498 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 24.8 p90 -142.02 140.55 32.67 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 436' ' ' THR . 15.8 m-85 -89.75 99.7 12.65 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.148 0.499 . . . . 15.0 110.292 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.46 125.54 35.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.207 -0.664 . . . . 15.0 109.207 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -117.51 135.36 53.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.178 -0.465 . . . . 15.0 112.059 -173.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -88.89 -14.53 36.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.406 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -70.13 -41.02 74.46 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.867 0.365 . . . . 15.0 111.279 -176.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 p -115.17 -0.39 13.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.679 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.55 30.31 15.12 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.58 -0.736 . . . . 15.0 111.275 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.32 149.87 28.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.074 0.464 . . . . 15.0 111.11 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 p -90.43 105.86 18.1 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.909 -0.774 . . . . 15.0 108.909 168.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.8 m -89.67 111.01 21.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.011 -0.541 . . . . 15.0 111.07 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -97.68 -1.22 44.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.513 0.673 . . . . 15.0 109.431 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.538 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mm-40 -78.88 129.07 34.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.635 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.41 108.84 13.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.23 1.954 . . . . 15.0 111.802 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 121.095 0.474 . . . . 15.0 110.259 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.18 -13.57 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.563 . . . . 15.0 110.593 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 69.4 m95 -91.04 124.63 35.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.606 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -89.8 123.04 33.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.83 0.347 . . . . 15.0 110.235 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.54 97.68 11.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.669 -0.864 . . . . 15.0 108.669 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.8 mtt180 -90.61 102.01 14.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.839 -169.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -94.6 97.92 10.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.907 -1.042 . . . . 15.0 110.146 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.871 -1.059 . . . . 15.0 110.916 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.82 -9.88 23.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.706 -0.679 . . . . 15.0 111.425 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.12 -9.65 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.469 0.652 . . . . 15.0 110.076 175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 40.88 5.66 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.696 -0.684 . . . . 15.0 112.284 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -150.13 134.27 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.065 0.46 . . . . 15.0 110.949 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 94.5 m -112.78 136.1 52.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.677 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -145.39 139.46 26.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.557 0.218 . . . . 15.0 110.728 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -90.1 96.43 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.261 0.553 . . . . 15.0 110.634 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -95.79 131.71 41.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.068 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.455 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.5 t-20 -137.73 133.73 34.48 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.38 -0.79 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.64 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -52.85 -50.84 62.95 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.225 0.536 . . . . 15.0 110.357 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.4 p -119.95 -0.16 10.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.678 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.18 34.06 11.29 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.584 -0.734 . . . . 15.0 110.799 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.93 149.99 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.299 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.5 p -94.33 114.99 27.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.513 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 12.8 m -90.31 115.98 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.806 -176.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -105.17 -25.98 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.527 -0.761 . . . . 15.0 109.866 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.69 131.89 35.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.99 177.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.83 121.33 64.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.54 -0.17 . . . . 15.0 110.54 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.447 2.765 . . . . 15.0 112.753 -179.114 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.175 0.512 . . . . 15.0 110.695 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -79.15 -38.93 34.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.543 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -119.14 103.24 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.391 . . . . 15.0 109.943 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.624 HG22 ' HG3' ' A' ' 438' ' ' ARG . 74.5 m -94.46 109.89 21.73 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.786 -0.366 . . . . 15.0 110.526 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.605 ' HB2' ' HG1' ' A' ' 445' ' ' THR . 5.4 pt-20 -89.77 105.08 17.56 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 171.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.624 ' HG3' HG22 ' A' ' 436' ' ' THR . 38.7 mtt180 -89.97 116.5 28.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.558 -1.201 . . . . 15.0 110.532 -170.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' A' ' 439' ' ' LYS . 6.3 mtpm? -89.77 102.43 15.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.796 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.5 p -89.92 149.82 22.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.676 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.72 62.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.22 -13.03 33.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.381 0.61 . . . . 15.0 110.779 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 34.58 8.18 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.483 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.554 ' HZ2' ' HB3' ' A' ' 444' ' ' LYS . 0.2 OUTLIER -136.59 135.17 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.985 0.422 . . . . 15.0 110.142 179.005 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.605 ' HG1' ' HB2' ' A' ' 437' ' ' GLU . 11.3 t -110.52 147.82 33.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.606 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -142.33 142.4 32.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.776 -0.37 . . . . 15.0 110.76 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.781 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.7 m-85 -89.96 98.51 11.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.75 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -89.93 118.85 29.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 453' ' ' ALA . 13.9 t-20 -115.7 132.92 56.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.47 -0.787 . . . . 15.0 110.87 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.5 -4.16 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.934 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -70.66 -48.92 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.841 0.353 . . . . 15.0 110.861 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -120.08 -1.64 10.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.182 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 449' ' ' ASN . . . 62.15 83.89 0.15 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.829 0.706 . . . . 15.0 110.428 -174.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 149.98 36.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.056 -173.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -116.89 95.25 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.87 0.843 . . . . 15.0 110.158 173.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.781 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 94.4 m -93.07 112.73 24.78 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.979 -1.009 . . . . 15.0 111.227 -174.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.6 -6.07 50.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.95 0.405 . . . . 15.0 111.563 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.38 125.28 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.231 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -76.87 120.19 80.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.908 2.405 . . . . 15.0 112.039 178.392 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.274 0.559 . . . . 15.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -90.06 -2.07 58.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.706 -168.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.41 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 12.3 m95 -105.23 112.09 25.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.996 0.427 . . . . 15.0 111.775 -170.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 55.3 m -108.77 119.64 40.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.321 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.65 112.4 23.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.993 -0.743 . . . . 15.0 108.993 175.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.516 ' O ' ' HA ' ' A' ' 445' ' ' THR . 37.8 mtp180 -103.88 107.34 18.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.119 -170.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.687 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.93 92.92 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.181 0.991 . . . . 15.0 110.237 -175.469 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 442' ' ' ASP . 70.0 p -89.85 138.54 31.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.153 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.12 9.9 0.37 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.813 -177.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 440' ' ' THR . 13.9 t70 -79.82 -0.69 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.609 0.718 . . . . 15.0 109.317 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.26 26.95 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.514 -0.766 . . . . 15.0 112.521 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -149.98 129.47 13.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.514 0.673 . . . . 15.0 112.131 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 52.0 m -105.41 134.31 48.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.086 -0.961 . . . . 15.0 108.641 172.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.49 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 19.7 p90 -138.55 147.89 43.59 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.196 -0.602 . . . . 15.0 111.103 -171.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 436' ' ' THR . 18.8 m-85 -91.04 112.63 24.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.047 -176.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -89.76 126.19 35.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 49.7 t-20 -89.74 107.74 19.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.909 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.248 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.91 -28.05 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.504 -0.317 . . . . 15.0 111.143 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -118.73 -8.34 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.903 -0.319 . . . . 15.0 111.411 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.67 22.09 10.5 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.407 0.623 . . . . 15.0 110.453 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.526 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.4 pt-20 -99.66 150.22 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.359 -175.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -89.83 114.93 26.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.19 0.519 . . . . 15.0 109.892 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.0 m -99.67 117.44 34.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.195 -174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -109.02 2.78 21.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.371 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.441 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 3.5 pt-20 -99.39 142.53 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 15.0 110.509 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -77.27 117.92 68.51 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.848 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.823 2.349 . . . . 15.0 111.754 174.217 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.655 0.264 . . . . 15.0 111.373 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.662 ' HA ' HD22 ' A' ' 450' ' ' ASN . 4.0 mp0 -100.47 -10.07 21.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.743 -174.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 37.8 m95 -120.11 107.33 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.112 0.482 . . . . 15.0 111.274 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.7 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 74.5 m -89.91 129.26 36.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.154 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 7.6 pt-20 -89.93 111.5 22.58 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.247 -1.02 . . . . 15.0 108.247 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.595 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 40.2 mtp180 -99.53 114.4 27.38 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 119.636 -0.826 . . . . 15.0 109.357 -174.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -89.72 94.01 9.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.318 -0.856 . . . . 15.0 109.893 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 136.98 32.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.59 -1.186 . . . . 15.0 110.438 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -74.93 4.38 6.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 110.98 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.15 0.39 45.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.461 -0.79 . . . . 15.0 109.612 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.47 34.74 10.06 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.6 -0.727 . . . . 15.0 112.302 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.431 ' HD3' ' HH2' ' A' ' 457' ' ' TRP . 13.0 ptpt -150.05 123.29 8.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.407 0.622 . . . . 15.0 112.084 -177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 68.0 m -95.29 134.24 38.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.675 171.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.595 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 23.2 p90 -139.62 142.41 37.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 119.839 -0.744 . . . . 15.0 110.737 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.7 ' HA ' ' O ' ' A' ' 436' ' ' THR . 29.7 m-85 -90.09 111.43 22.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.541 -0.754 . . . . 15.0 110.187 -176.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -89.8 122.33 32.77 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.606 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.596 HD22 ' HB2' ' A' ' 451' ' ' ARG . 10.8 t-20 -89.64 120.41 30.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.317 -0.856 . . . . 15.0 110.416 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.662 HD22 ' HA ' ' A' ' 434' ' ' GLU . 9.6 p30 -92.7 -5.38 51.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.692 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.596 ' HB2' HD22 ' A' ' 449' ' ' ASN . 3.7 mmp_? -72.45 -53.74 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.419 . . . . 15.0 111.211 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.4 t -120.02 -0.01 10.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.782 -0.644 . . . . 15.0 110.524 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.5 85.06 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.621 0.724 . . . . 15.0 110.593 -174.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.17 142.23 23.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.077 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.6 p -90.05 109.35 20.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.171 0.51 . . . . 15.0 109.78 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.433 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 21.3 m -93.59 108.58 20.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.422 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.431 ' HH2' ' HD3' ' A' ' 444' ' ' LYS . 88.3 m95 -106.19 -2.46 22.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.296 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 6.0 pt-20 -90.3 138.64 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.713 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.51 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 57.3 tptt -89.47 113.18 55.6 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.095 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.51 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 67.8 Cg_endo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.788 2.325 . . . . 15.0 111.69 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.975 0.417 . . . . 15.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -89.92 120.94 31.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.7 -0.481 . . . . 15.0 109.7 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.9 m -91.89 124.91 36.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.708 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 9.1 pt-20 -89.74 113.44 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 173.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 445' ' ' THR . 57.7 mtp180 -92.3 111.14 22.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.644 -173.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -89.97 92.08 8.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.012 -0.995 . . . . 15.0 110.038 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.1 p -89.99 137.34 32.42 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.508 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.62 5.0 1.57 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.358 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.24 -5.12 40.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 15.0 110.013 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 32.51 9.62 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.393 -0.821 . . . . 15.0 112.638 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.477 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 10.8 pttm -150.12 137.3 19.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.001 0.429 . . . . 15.0 111.375 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -113.68 144.14 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.938 -0.764 . . . . 15.0 108.938 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 12.1 p90 -144.69 140.41 28.59 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.83 -0.348 . . . . 15.0 110.665 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.8 m-85 -89.81 92.16 8.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 15.0 110.068 -174.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -91.1 124.97 35.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.606 -0.725 . . . . 15.0 110.131 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -136.89 133.16 35.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.736 -0.839 . . . . 15.0 108.736 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -65.78 -14.94 62.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.881 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.52 -39.59 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.454 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 m -112.99 -9.0 13.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.186 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.64 27.17 16.88 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.859 -0.609 . . . . 15.0 110.373 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.69 150.19 49.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.782 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.1 p -90.0 115.05 26.99 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.576 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 33.4 m -90.0 128.36 36.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.243 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.477 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 37.1 m95 -104.6 -20.96 13.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.18 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.14 149.36 48.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.464 -0.789 . . . . 15.0 110.439 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.896 ' HE3' ' HA ' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -79.35 113.85 40.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 15.0 111.083 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.447 2.098 . . . . 15.0 111.301 172.597 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 121.324 0.583 . . . . 15.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 13.1 m95 -105.18 113.45 27.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 15.0 111.165 -173.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.621 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.4 m -89.92 130.49 36.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.757 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 3.1 pt-20 -89.85 111.38 22.39 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 170.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -101.42 96.44 7.16 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.804 -0.758 . . . . 15.0 109.308 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 34.7 ttmt -98.95 93.98 6.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.523 -1.217 . . . . 15.0 110.326 -173.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.2 p -89.65 150.04 22.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.547 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.24 4.95 2.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 15.0 112.072 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -7.45 56.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.783 0.801 . . . . 15.0 109.214 172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.22 33.8 8.54 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.251 -0.886 . . . . 15.0 112.118 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -135.82 130.59 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.481 . . . . 15.0 110.965 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.1 m -117.89 129.5 55.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -143.91 150.24 38.08 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.513 -0.475 . . . . 15.0 110.871 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.621 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-30 -89.77 110.27 21.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.505 . . . . 15.0 109.797 -175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -89.92 125.22 35.28 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.9 t-20 -89.88 107.96 19.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.052 -0.721 . . . . 15.0 109.052 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -82.14 -3.26 54.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.866 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 451' ' ' ARG . 38.0 ttp180 -83.19 -47.45 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.108 0.48 . . . . 15.0 110.06 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.9 p -105.61 -6.01 19.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.293 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.68 27.96 7.47 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.562 -0.745 . . . . 15.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.4 pt-20 -100.87 150.2 23.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.664 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.7 p -89.89 111.87 23.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.6 m -101.24 105.63 16.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.274 0.559 . . . . 15.0 110.863 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -94.95 -12.57 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.385 0.612 . . . . 15.0 110.025 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.73 106.64 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.283 -0.871 . . . . 15.0 108.961 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 116.67 64.77 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.6 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.794 2.33 . . . . 15.0 111.24 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.94 0.4 . . . . 15.0 110.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -99.14 114.88 27.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.39 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.744 HG22 ' HG3' ' A' ' 438' ' ' ARG . 53.5 m -96.6 119.87 35.86 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.248 173.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -90.03 109.33 20.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.312 -0.996 . . . . 15.0 108.312 174.394 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.744 ' HG3' HG22 ' A' ' 436' ' ' THR . 16.6 mtp180 -101.76 97.28 7.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.279 0.562 . . . . 15.0 110.542 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.26 101.74 14.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.575 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.84 147.2 23.92 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.904 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.22 -7.23 1.8 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.061 0.763 . . . . 15.0 113.061 -172.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.18 -10.03 51.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.439 0.637 . . . . 15.0 109.965 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 31.22 11.02 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.515 -0.766 . . . . 15.0 112.321 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.51 ' HD2' ' CH2' ' A' ' 457' ' ' TRP . 9.9 pttm -140.18 127.64 21.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 15.0 111.413 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 17.0 m -105.45 144.73 31.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.036 -0.984 . . . . 15.0 109.719 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -146.06 139.09 25.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.6 m-85 -89.75 109.17 20.18 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -89.37 121.36 31.54 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.523 ' HB2' ' HG2' ' A' ' 454' ' ' GLU . 3.5 m-20 -89.9 115.16 27.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.043 -0.98 . . . . 15.0 109.382 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -76.26 -20.31 57.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 15.0 110.854 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -84.87 -26.08 27.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.564 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.8 p -120.02 -2.73 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.126 0.417 . . . . 15.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 59.72 37.02 22.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.36 0.412 . . . . 15.0 111.474 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 449' ' ' ASN . 11.6 pt-20 -118.62 150.29 39.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.682 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -99.35 105.59 17.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 170.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.9 m -89.92 115.97 27.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.698 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 444' ' ' LYS . 72.5 m95 -99.67 -2.26 35.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.565 0.698 . . . . 15.0 110.024 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 7.3 mm-40 -81.59 120.43 25.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.744 -1.116 . . . . 15.0 108.693 174.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 459' ' ' LYS . 8.3 tmtm? -78.51 117.06 64.17 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.837 0.351 . . . . 15.0 110.799 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 73.9 Cg_endo . . . . . 0 C--O 1.246 0.899 0 C-N-CA 123.044 2.496 . . . . 15.0 111.348 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.979 0.419 . . . . 15.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -101.52 107.14 18.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.736 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -89.97 123.22 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 15.0 110.602 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 447' ' ' TYR . 7.5 pt-20 -90.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.445 176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 445' ' ' THR . 35.7 mtp180 -93.67 101.64 13.79 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 119.973 -0.691 . . . . 15.0 109.673 -172.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.864 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.0 100.44 13.26 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.163 -176.573 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.6 p -89.76 150.12 22.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.778 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.04 4.08 2.33 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.356 0.873 . . . . 15.0 113.356 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.68 -10.07 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.779 0.799 . . . . 15.0 109.036 171.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 32.37 9.69 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.654 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -136.11 117.58 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.558 0.694 . . . . 15.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 34.1 m -100.04 146.21 27.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.113 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.493 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 25.5 p90 -146.49 145.3 30.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.837 -0.345 . . . . 15.0 110.121 -177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.2 m-85 -91.9 108.48 19.95 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.475 0.655 . . . . 15.0 111.136 -175.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.92 114.58 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.863 -1.062 . . . . 15.0 108.66 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.488 HD21 ' HB2' ' A' ' 451' ' ' ARG . 45.1 t30 -118.97 144.73 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.405 -176.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.3 7.91 25.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.023 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB2' HD21 ' A' ' 449' ' ' ASN . 33.9 mmt180 -61.75 -48.61 79.89 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.818 -0.353 . . . . 15.0 110.722 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 73.1 p -120.03 0.38 10.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.052 168.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 452' ' ' THR . . . 76.9 43.59 0.12 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.868 0.867 . . . . 15.0 109.846 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -100.66 145.99 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.323 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.7 p -98.18 112.43 24.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.618 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 29.1 m -101.63 124.22 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.062 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -112.53 -1.83 14.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.27 0.557 . . . . 15.0 110.308 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 33.7 tt0 -86.1 136.33 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.429 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.602 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 54.9 tptt -87.48 115.05 61.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.743 0.306 . . . . 15.0 111.372 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.602 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 42.4 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.945 2.43 . . . . 15.0 111.208 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.255 0.55 . . . . 15.0 110.087 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -97.91 129.81 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.439 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.728 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.9 m -89.72 123.41 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.305 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -101.04 108.09 19.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 445' ' ' THR . 40.3 mtt180 -106.14 106.14 16.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.852 -0.739 . . . . 15.0 110.115 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 6.5 ptpt -90.03 97.92 11.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.896 -174.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.1 p -89.58 147.3 24.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.715 -1.13 . . . . 15.0 110.716 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.41 14.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.233 0.827 . . . . 15.0 113.233 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.557 ' HB3' ' HG2' ' A' ' 444' ' ' LYS . 30.6 t70 -84.42 -6.46 59.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.638 0.732 . . . . 15.0 109.541 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 23.12 32.86 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.557 ' HG2' ' HB3' ' A' ' 442' ' ' ASP . 21.9 pttp -139.51 130.95 26.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.207 0.527 . . . . 15.0 110.929 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.5 t -103.34 149.98 24.23 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.421 -0.955 . . . . 15.0 108.421 170.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 19.3 p90 -129.14 134.02 47.87 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 119.566 -0.854 . . . . 15.0 110.533 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.728 ' HA ' ' O ' ' A' ' 436' ' ' THR . 27.6 m-85 -89.94 111.94 23.16 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.102 -0.954 . . . . 15.0 109.659 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.541 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 22.0 t80 -89.68 122.51 32.87 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.879 -0.6 . . . . 15.0 109.54 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.98 116.45 28.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.43 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.7 -13.32 59.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.215 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -84.13 -32.86 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.396 -0.366 . . . . 15.0 111.221 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 p -120.3 -1.9 10.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.413 -0.358 . . . . 15.0 111.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 61.67 32.06 18.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.988 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.88 150.5 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.608 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.1 p -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.123 0.487 . . . . 15.0 109.936 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.0 m -92.73 119.4 32.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 15.0 110.196 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 76.5 m95 -104.74 0.83 28.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.153 0.501 . . . . 15.0 110.865 -177.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 40.1 mt-10 -88.31 139.97 29.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.119 175.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.777 ' HE3' ' HD2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -69.83 110.32 6.34 Favored Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.287 0.367 . . . . 15.0 111.709 -174.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.777 ' HD2' ' HE3' ' A' ' 459' ' ' LYS . 35.6 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.202 2.601 . . . . 15.0 111.561 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.615 ' HB3' HD21 ' A' ' 449' ' ' ASN . 22.8 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.039 0.447 . . . . 15.0 111.343 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 50.3 m95 -91.03 100.46 13.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 15.0 110.174 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.0 m -90.15 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 15.0 111.249 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -89.74 119.33 30.04 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 445' ' ' THR . 45.5 mtp180 -98.73 114.17 26.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.122 -0.49 . . . . 15.0 109.783 -175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.765 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.86 90.08 8.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.845 0.831 . . . . 15.0 109.46 -177.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 442' ' ' ASP . 41.9 m -89.87 132.32 35.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.846 -1.07 . . . . 15.0 110.035 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.13 -1.28 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.301 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 440' ' ' THR . 36.1 t70 -78.27 -2.62 38.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.451 0.643 . . . . 15.0 110.349 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 38.8 6.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.862 -0.685 . . . . 15.0 112.585 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -150.08 121.74 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.104 0.478 . . . . 15.0 111.226 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.4 m -106.25 131.08 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 173.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.89 148.22 32.61 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.829 -0.348 . . . . 15.0 110.835 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 20.5 m-85 -89.94 101.97 14.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 15.0 110.88 -175.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -106.13 131.86 52.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.022 -0.535 . . . . 15.0 109.782 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.615 HD21 ' HB3' ' A' ' 434' ' ' GLU . 53.8 t-20 -123.68 129.55 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.834 0.35 . . . . 15.0 110.471 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -70.09 -6.49 34.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.857 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -55.64 31.21 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.085 0.469 . . . . 15.0 110.702 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -120.14 0.32 10.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.495 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.29 43.05 4.96 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.055 -1.091 . . . . 15.0 108.055 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.12 124.18 34.59 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.122 -1.399 . . . . 15.0 110.122 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.1 p -98.16 102.68 14.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.215 0.531 . . . . 15.0 110.113 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 32.1 m -91.14 109.3 20.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 15.0 110.149 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -103.83 -10.32 18.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 1.8 pm0 -88.94 149.99 23.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.529 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 55.5 tptt -86.83 113.93 55.63 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.632 -0.258 . . . . 15.0 110.675 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.917 2.411 . . . . 15.0 111.284 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.136 0.493 . . . . 15.0 110.646 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 77.1 m95 -126.22 114.2 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.358 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.3 m -89.79 112.78 24.19 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 15.0 110.206 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 124.07 34.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.526 -1.287 . . . . 15.0 107.526 171.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' A' ' 445' ' ' THR . 15.3 mtt180 -112.86 105.08 13.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 120.007 -0.677 . . . . 15.0 110.413 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -89.94 92.56 9.05 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.221 -0.899 . . . . 15.0 109.146 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.4 p -89.88 146.65 24.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.138 -0.937 . . . . 15.0 110.492 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.58 12.76 0.93 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.541 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.409 ' HB3' ' HE2' ' A' ' 444' ' ' LYS . 29.8 t70 -85.54 -3.9 59.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.654 0.74 . . . . 15.0 109.264 175.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 35.7 7.5 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.162 -0.926 . . . . 15.0 112.005 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 442' ' ' ASP . 33.5 pttt -150.11 121.53 7.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.216 0.531 . . . . 15.0 111.407 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.629 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 54.7 m -102.04 127.44 48.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 170.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -129.89 141.01 50.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.871 -0.732 . . . . 15.0 110.9 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.622 ' HA ' ' O ' ' A' ' 436' ' ' THR . 21.2 m-85 -98.2 113.55 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.176 -174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -89.56 126.75 35.73 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.179 0.514 . . . . 15.0 109.667 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.434 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 16.6 t-20 -89.88 113.49 25.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.352 -0.84 . . . . 15.0 110.078 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -88.88 1.87 54.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.53 -0.305 . . . . 15.0 110.906 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -73.58 -52.19 14.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.831 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.052 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.79 76.34 0.27 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.962 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.98 150.26 31.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.214 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 p -89.91 110.83 21.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.31 0.576 . . . . 15.0 110.2 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -90.33 102.01 14.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.086 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -93.45 3.5 55.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.854 0.835 . . . . 15.0 109.093 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 28.1 mt-10 -87.73 134.79 33.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.763 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -72.05 113.21 18.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.732 0.301 . . . . 15.0 111.15 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 71.9 Cg_endo . . . . . 0 C--O 1.246 0.925 0 C-N-CA 122.991 2.46 . . . . 15.0 111.625 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' HD21 ' A' ' 449' ' ' ASN . 10.4 tp10 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.243 0.544 . . . . 15.0 110.398 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.591 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 64.4 m95 -99.86 126.93 46.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.357 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.5 m -89.95 125.64 35.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 15.0 111.193 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.404 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 13.7 pt-20 -89.75 113.63 25.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' A' ' 445' ' ' THR . 65.0 mtp180 -101.39 105.22 16.23 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.437 -0.505 . . . . 15.0 110.057 -174.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -92.24 89.93 7.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.648 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.0 t -91.07 144.22 25.88 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.027 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.5 -4.37 3.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.76 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.49 -12.59 45.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.494 0.664 . . . . 15.0 109.962 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.3 34.43 8.08 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.288 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.584 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 15.8 pttm -146.27 127.8 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.135 0.493 . . . . 15.0 111.326 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 73.5 m -108.89 126.25 52.86 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 12.0 p90 -136.82 144.14 43.51 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 120.508 -0.477 . . . . 15.0 110.236 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 436' ' ' THR . 30.1 m-85 -90.56 89.72 7.68 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.4 0.619 . . . . 15.0 109.941 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 3.9 t80 -94.09 128.51 40.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.433 -0.803 . . . . 15.0 109.195 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.784 HD21 ' HG3' ' A' ' 434' ' ' GLU . 38.6 t-20 -127.13 134.13 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.936 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -67.51 -21.52 65.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.099 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -71.1 -19.81 62.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.389 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.7 p -120.05 -10.03 9.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.922 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 55.4 28.6 11.75 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.065 0.46 . . . . 15.0 110.465 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -137.79 150.17 46.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.21 -170.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 10.2 p -95.49 119.31 33.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 15.0 111.031 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 32.0 m -95.93 128.42 42.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.978 -0.555 . . . . 15.0 109.953 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.584 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 72.1 m95 -102.51 -22.3 14.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.267 0.556 . . . . 15.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.01 130.41 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 15.0 110.492 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -74.15 113.34 22.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.257 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.768 2.312 . . . . 15.0 111.906 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.491 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 1.7 mp0 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.987 0.422 . . . . 15.0 111.036 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 103.81 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.277 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -95.81 122.21 38.36 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.075 -0.25 . . . . 15.0 111.002 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -89.78 108.61 19.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 436' ' ' THR . 68.9 mtp180 -95.74 101.46 13.15 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.056 -173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -89.83 96.02 10.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.485 -0.779 . . . . 15.0 109.698 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.6 p -89.71 148.0 23.53 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.249 -0.887 . . . . 15.0 111.497 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.31 -2.49 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.605 -0.725 . . . . 15.0 111.452 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.29 -8.1 36.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.717 0.77 . . . . 15.0 109.651 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 26.42 24.26 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.434 -0.803 . . . . 15.0 111.994 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -149.04 134.29 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.382 0.611 . . . . 15.0 111.332 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -107.53 145.41 33.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.147 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.9 p90 -143.61 137.69 28.5 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.077 0.465 . . . . 15.0 110.374 -177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.81 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.4 m-85 -89.73 99.07 12.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.871 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -89.41 111.61 22.53 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.757 -0.831 . . . . 15.0 108.757 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.714 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.0 t30 -95.24 124.94 39.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.84 -1.073 . . . . 15.0 110.757 -176.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -77.87 -15.08 59.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.568 ' HB2' HD21 ' A' ' 449' ' ' ASN . 32.7 mtp180 -74.65 -36.29 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 15.0 111.736 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 m -120.21 -8.17 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.933 -0.307 . . . . 15.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.18 34.94 13.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.519 0.676 . . . . 15.0 109.675 -171.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.714 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -103.72 150.26 24.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.083 -0.962 . . . . 15.0 110.481 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.8 t -101.54 107.91 19.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.442 0.639 . . . . 15.0 109.767 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.81 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 53.3 m -89.97 121.18 31.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.994 -1.003 . . . . 15.0 110.007 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 97.8 m95 -106.78 0.19 23.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.951 0.405 . . . . 15.0 111.273 -175.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.98 135.03 50.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.687 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -74.03 116.67 54.65 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.631 -0.507 . . . . 15.0 109.631 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 122.509 2.139 . . . . 15.0 111.909 -179.37 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.828 0.347 . . . . 15.0 110.936 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -94.74 107.87 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.43 -0.581 . . . . 15.0 109.43 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.6 m -89.81 127.35 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.308 -0.405 . . . . 15.0 111.533 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.9 114.19 25.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.511 -0.922 . . . . 15.0 108.511 173.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.609 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.9 mtp180 -102.16 108.9 20.44 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.357 -0.608 . . . . 15.0 109.357 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.754 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.87 95.14 10.1 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 122.135 0.969 . . . . 15.0 110.099 -176.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.58 HG22 ' H ' ' A' ' 442' ' ' ASP . 99.0 m -89.77 132.08 35.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.136 -1.393 . . . . 15.0 110.311 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.04 0.88 3.13 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.58 ' H ' HG22 ' A' ' 440' ' ' THR . 18.1 t70 -76.43 -5.52 47.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 15.0 110.199 176.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 36.26 7.3 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.678 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -145.07 113.44 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.291 0.567 . . . . 15.0 111.571 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.8 m -99.83 140.91 33.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 170.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.609 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 7.7 p90 -149.28 145.13 26.91 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.465 -0.494 . . . . 15.0 110.618 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.669 ' HA ' ' O ' ' A' ' 436' ' ' THR . 24.1 m-85 -90.01 96.38 10.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.411 -176.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.82 121.76 32.26 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.307 -0.627 . . . . 15.0 109.307 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 16.3 t-20 -128.5 136.69 51.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.014 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -81.76 -19.75 40.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.765 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -67.01 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.399 0.618 . . . . 15.0 109.604 178.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.517 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 23.7 p -104.05 -25.02 13.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.536 174.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.68 35.26 9.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.217 -0.901 . . . . 15.0 110.593 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 2.4 pp20? -146.83 150.18 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.581 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 m -89.82 119.44 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.24 -0.437 . . . . 15.0 110.469 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.4 m -89.78 124.36 34.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.018 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -102.57 -13.49 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.417 0.627 . . . . 15.0 109.854 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.37 150.01 23.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.033 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -75.4 119.06 75.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.708 0.289 . . . . 15.0 111.042 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--O 1.252 1.206 0 C-N-CA 122.894 2.396 . . . . 15.0 112.036 177.858 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.948 0.404 . . . . 15.0 110.418 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 71.7 m95 -135.05 114.06 12.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.717 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.8 m -90.12 122.78 33.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.33 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 0.3 OUTLIER -90.64 112.64 24.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.734 0.778 . . . . 15.0 109.494 170.484 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.67 ' O ' ' HA ' ' A' ' 445' ' ' THR . 44.7 mtt180 -94.39 115.63 27.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.518 -0.765 . . . . 15.0 110.715 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -89.72 96.65 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.257 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 68.8 p -90.0 148.71 22.91 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.838 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -72.49 6.31 2.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.289 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.06 -5.68 57.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.902 0.858 . . . . 15.0 108.845 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.3 36.58 8.08 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.906 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -150.11 133.04 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 15.0 111.058 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 10.8 t -108.7 135.73 49.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.494 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -128.31 144.24 51.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.802 -0.359 . . . . 15.0 110.717 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-30 -90.07 102.61 15.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.048 0.451 . . . . 15.0 110.133 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -89.64 123.35 33.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.13 0.491 . . . . 15.0 110.187 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.55 HD21 ' HB2' ' A' ' 451' ' ' ARG . 43.7 t30 -91.67 126.33 36.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.365 -0.834 . . . . 15.0 111.155 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -88.07 -9.82 52.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.725 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.55 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.4 mmm180 -68.88 -47.58 65.52 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.843 0.354 . . . . 15.0 111.327 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.798 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.0 -0.09 10.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.148 -178.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.31 53.97 2.69 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.57 0.7 . . . . 15.0 110.18 -174.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.798 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.6 mt-10 -111.52 142.3 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.286 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 p -91.35 101.16 13.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.32 0.581 . . . . 15.0 109.948 171.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 447' ' ' TYR . 63.6 m -89.94 112.84 24.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.455 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -103.95 -0.16 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.998 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.72 123.0 48.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.912 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.82 115.38 12.6 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.694 -175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.803 2.335 . . . . 15.0 111.741 175.238 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.591 0.71 . . . . 15.0 110.464 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 75.6 m95 -103.77 117.98 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.018 -0.537 . . . . 15.0 110.329 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.1 m -90.3 128.67 36.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.025 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.67 108.48 19.7 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 445' ' ' THR . 71.8 mtp180 -89.87 106.06 18.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.452 -172.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -93.07 94.01 8.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.228 -1.351 . . . . 15.0 110.406 -172.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -89.85 145.93 24.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.791 -0.641 . . . . 15.0 110.306 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.79 -4.3 12.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.586 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.37 -8.47 40.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.583 0.706 . . . . 15.0 109.818 173.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 36.57 7.13 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.495 -0.775 . . . . 15.0 112.808 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -150.02 139.34 21.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 15.0 110.924 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 4.6 t -113.51 149.95 33.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.492 -0.558 . . . . 15.0 109.492 174.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -144.45 139.62 28.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.942 -0.392 . . . . 15.0 109.942 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.853 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 12.6 m-85 -89.8 98.69 11.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.52 . . . . 15.0 110.101 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.0 128.07 51.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.68 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 53.3 t-20 -133.12 132.62 41.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.92 -6.79 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.087 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.25 -48.68 65.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.485 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.5 m -119.95 -1.11 10.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.327 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.62 36.15 19.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.525 0.678 . . . . 15.0 109.935 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -104.24 142.09 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.9 -1.045 . . . . 15.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -92.15 114.74 27.36 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.655 -0.702 . . . . 15.0 109.374 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.853 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 m -89.92 115.34 27.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 15.0 110.269 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -109.94 -4.76 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.26 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -93.87 130.93 39.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.901 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -71.69 115.12 34.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.449 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 122.868 2.379 . . . . 15.0 111.603 175.521 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.927 0.394 . . . . 15.0 111.055 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -106.7 111.07 23.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 15.0 109.973 -176.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 44.3 m -95.01 128.86 42.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.083 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 2.5 pt-20 -89.47 115.89 27.24 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 171.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 445' ' ' THR . 18.0 ttt180 -96.23 98.8 10.59 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -89.61 94.0 9.69 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.631 0.729 . . . . 15.0 109.304 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.1 p -89.76 145.52 25.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.811 -1.086 . . . . 15.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.99 3.4 2.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.301 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -5.24 32.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.689 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 25.05 28.14 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.443 -0.798 . . . . 15.0 112.111 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 7.8 pttm -150.08 133.81 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.219 0.533 . . . . 15.0 111.596 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.6 t -109.54 146.32 34.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 169.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.447 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 6.8 p90 -141.23 145.89 36.18 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 120.519 -0.473 . . . . 15.0 110.697 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.1 m-30 -89.64 97.37 11.16 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.075 -0.511 . . . . 15.0 109.894 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -89.64 120.67 31.12 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.15 -0.685 . . . . 15.0 109.15 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.78 HD21 ' HB3' ' A' ' 451' ' ' ARG . 43.2 t30 -95.23 127.07 40.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.01 -175.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.46 -11.47 58.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.342 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.78 ' HB3' HD21 ' A' ' 449' ' ' ASN . 41.3 ttm180 -73.79 -43.23 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.044 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 20.6 p -120.42 -0.09 10.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 15.0 112.05 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.94 43.6 21.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.502 0.667 . . . . 15.0 110.406 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.51 145.29 41.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.601 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 38.5 p -90.21 101.14 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.973 -0.558 . . . . 15.0 109.872 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 87.0 m -89.98 130.63 36.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.955 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.486 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 86.9 m95 -116.05 -3.8 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 15.0 111.102 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.463 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.0 mp0 -101.2 146.06 28.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.433 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -85.49 108.76 17.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.361 -0.607 . . . . 15.0 109.361 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 14.4 Cg_exo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 122.26 1.973 . . . . 15.0 112.159 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 121.053 0.454 . . . . 15.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 55.1 m95 -99.25 123.39 43.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.8 -0.637 . . . . 15.0 110.492 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 92.4 m -94.99 113.38 25.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.926 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -89.99 105.69 17.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 445' ' ' THR . 17.8 ttt180 -96.02 111.91 23.79 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.783 -0.767 . . . . 15.0 110.023 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.796 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.88 97.83 11.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.792 0.806 . . . . 15.0 109.757 -179.532 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 442' ' ' ASP . 29.5 m -90.04 134.62 34.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.678 -1.147 . . . . 15.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.47 1.29 1.73 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.102 -0.499 . . . . 15.0 112.081 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 440' ' ' THR . 21.1 t70 -80.31 -7.35 59.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.732 . . . . 15.0 110.203 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 39.04 6.21 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.675 -0.693 . . . . 15.0 112.382 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -149.88 130.06 13.63 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.261 0.553 . . . . 15.0 111.236 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 3.3 m -103.85 144.76 31.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.038 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.65 147.19 27.8 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.205 -0.598 . . . . 15.0 111.146 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.8 m-85 -90.11 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.754 -0.657 . . . . 15.0 109.966 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.31 121.1 31.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.925 -0.769 . . . . 15.0 108.925 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.44 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.4 t-20 -89.88 111.43 22.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.917 -174.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -80.08 -18.81 48.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.144 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -89.08 -25.8 21.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.249 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.1 m -118.78 -2.99 10.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.587 -0.279 . . . . 15.0 111.45 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.92 45.24 18.56 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.117 0.484 . . . . 15.0 111.359 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.671 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 pt-20 -132.94 150.13 52.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.705 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -93.55 108.22 19.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.931 0.396 . . . . 15.0 110.375 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 m -94.55 124.41 38.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.57 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -110.85 -5.71 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.15 0.5 . . . . 15.0 110.562 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.48 149.42 26.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.166 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.463 ' HD3' ' HD2' ' A' ' 460' ' ' PRO . 17.1 tppt? -62.68 112.69 7.09 Favored Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.027 0.205 . . . . 15.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.991 2.461 . . . . 15.0 112.422 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.515 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 18.5 tp10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.626 0.727 . . . . 15.0 109.391 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -95.04 101.62 13.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.931 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 91.3 m -89.84 122.22 32.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.506 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 100.07 12.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.786 0.803 . . . . 15.0 108.87 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 16.8 mtp180 -90.22 94.87 9.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.159 -172.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.84 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.71 100.41 13.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.428 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.3 p -89.79 149.89 22.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.68 -1.145 . . . . 15.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.99 -6.76 13.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.43 -12.63 58.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.813 -0.63 . . . . 15.0 110.038 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 36.23 7.26 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.575 -0.739 . . . . 15.0 112.102 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.09 0.472 . . . . 15.0 111.214 -178.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 12.5 t -104.11 146.38 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.162 173.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -148.24 143.26 26.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.811 -0.44 . . . . 15.0 109.811 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -90.11 101.12 13.83 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.392 0.615 . . . . 15.0 109.605 -173.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -89.75 125.6 35.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.404 -0.816 . . . . 15.0 109.81 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.97 117.71 28.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.437 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.74 -12.52 57.48 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.453 -0.499 . . . . 15.0 110.772 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.515 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 57.9 mtp180 -58.15 -57.13 14.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 15.0 111.339 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 p -112.56 -1.45 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.868 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.31 35.51 5.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.599 0.562 . . . . 15.0 111.24 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.01 148.25 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 15.0 110.418 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 t -94.27 121.36 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 15.0 110.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -103.22 116.27 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.744 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.01 -6.8 21.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.707 0.765 . . . . 15.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.16 129.06 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.953 -1.022 . . . . 15.0 109.887 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -76.44 116.35 55.56 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-O 120.749 0.309 . . . . 15.0 110.949 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 123.142 2.562 . . . . 15.0 112.071 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.755 0.312 . . . . 15.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -121.19 109.24 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.332 -173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.1 m -89.93 128.6 36.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.313 177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 12.6 pt-20 -89.79 106.88 18.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.507 -0.923 . . . . 15.0 108.507 174.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 445' ' ' THR . 52.3 mtp180 -96.81 99.32 10.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.434 ' HD3' ' HB ' ' A' ' 445' ' ' THR . 21.7 tptm -89.8 101.53 14.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.361 -175.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.1 p -89.68 149.11 22.92 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.435 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.05 2.79 3.22 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.794 -0.639 . . . . 15.0 112.109 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.36 -6.06 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.699 0.762 . . . . 15.0 109.67 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.24 16.1 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.538 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -142.6 126.86 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.294 0.568 . . . . 15.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.5 t -102.67 147.89 26.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.382 -0.827 . . . . 15.0 109.022 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.496 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 24.8 p90 -142.02 140.55 32.67 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.71 ' HA ' ' O ' ' A' ' 436' ' ' THR . 15.8 m-85 -89.75 99.7 12.65 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.148 0.499 . . . . 15.0 110.292 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.46 125.54 35.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.207 -0.664 . . . . 15.0 109.207 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -117.51 135.36 53.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.178 -0.465 . . . . 15.0 112.059 -173.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -88.89 -14.53 36.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.406 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 451' ' ' ARG . 27.9 mmt180 -70.13 -41.02 74.46 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.867 0.365 . . . . 15.0 111.279 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 p -115.17 -0.39 13.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.679 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.55 30.31 15.12 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.58 -0.736 . . . . 15.0 111.275 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.32 149.87 28.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.074 0.464 . . . . 15.0 111.11 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 p -90.43 105.86 18.1 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.909 -0.774 . . . . 15.0 108.909 168.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.8 m -89.67 111.01 21.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.011 -0.541 . . . . 15.0 111.07 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -97.68 -1.22 44.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.513 0.673 . . . . 15.0 109.431 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mm-40 -78.88 129.07 34.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.635 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.41 108.84 13.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.23 1.954 . . . . 15.0 111.802 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 121.015 0.436 . . . . 15.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 69.4 m95 -91.04 124.63 35.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.617 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -89.8 123.04 33.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.83 0.347 . . . . 15.0 110.235 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.54 97.68 11.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.669 -0.864 . . . . 15.0 108.669 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.8 mtt180 -90.61 102.01 14.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.839 -169.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -94.6 97.92 10.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.907 -1.042 . . . . 15.0 110.146 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.871 -1.059 . . . . 15.0 110.916 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.82 -9.88 23.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.706 -0.679 . . . . 15.0 111.425 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.12 -9.65 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.469 0.652 . . . . 15.0 110.076 175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 40.88 5.66 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.696 -0.684 . . . . 15.0 112.284 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -150.13 134.27 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.065 0.46 . . . . 15.0 110.949 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 94.5 m -112.78 136.1 52.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.677 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -145.39 139.46 26.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.557 0.218 . . . . 15.0 110.728 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.617 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -90.1 96.43 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.261 0.553 . . . . 15.0 110.634 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -95.79 131.71 41.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.068 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.5 t-20 -137.73 133.73 34.48 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.38 -0.79 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.64 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -52.85 -50.84 62.95 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.225 0.536 . . . . 15.0 110.357 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.4 p -119.95 -0.16 10.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.678 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.18 34.06 11.29 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.584 -0.734 . . . . 15.0 110.799 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.93 149.99 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.299 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.5 p -94.33 114.99 27.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.513 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 12.8 m -90.31 115.98 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.806 -176.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -105.17 -25.98 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.527 -0.761 . . . . 15.0 109.866 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.69 131.89 35.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.99 177.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.83 121.33 64.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.54 -0.17 . . . . 15.0 110.54 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.447 2.765 . . . . 15.0 112.753 -179.114 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.409 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 2.7 mp0 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.665 0.269 . . . . 15.0 111.543 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -119.14 103.24 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.391 . . . . 15.0 109.943 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.643 HG22 ' HG3' ' A' ' 438' ' ' ARG . 74.5 m -94.46 109.89 21.73 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.786 -0.366 . . . . 15.0 110.526 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 5.4 pt-20 -89.77 105.08 17.56 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 171.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG22 ' A' ' 436' ' ' THR . 38.7 mtt180 -89.97 116.5 28.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.558 -1.201 . . . . 15.0 110.532 -170.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 439' ' ' LYS . 6.3 mtpm? -89.77 102.43 15.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.796 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.5 p -89.92 149.82 22.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.676 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.72 62.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.22 -13.03 33.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.381 0.61 . . . . 15.0 110.779 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 34.58 8.18 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.483 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.59 135.17 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.985 0.422 . . . . 15.0 110.142 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.605 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.3 t -110.52 147.82 33.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.606 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -142.33 142.4 32.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.776 -0.37 . . . . 15.0 110.76 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.818 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.7 m-85 -89.96 98.51 11.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.75 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -89.93 118.85 29.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -115.7 132.92 56.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.47 -0.787 . . . . 15.0 110.87 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.5 -4.16 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.934 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.409 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 36.4 mmt180 -70.66 -48.92 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.841 0.353 . . . . 15.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -120.08 -1.64 10.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.182 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.15 83.89 0.15 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.829 0.706 . . . . 15.0 110.428 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 149.98 36.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.056 -173.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -116.89 95.25 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.87 0.843 . . . . 15.0 110.158 173.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.818 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 94.4 m -93.07 112.73 24.78 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.979 -1.009 . . . . 15.0 111.227 -174.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.6 -6.07 50.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.95 0.405 . . . . 15.0 111.563 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.38 125.28 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.231 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -76.87 120.19 80.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.908 2.405 . . . . 15.0 112.039 178.392 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.231 0.083 0 N-CA-C 111.706 0.262 . . . . 15.0 111.706 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 12.3 m95 -105.23 112.09 25.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.996 0.427 . . . . 15.0 111.775 -170.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 438' ' ' ARG . 55.3 m -108.77 119.64 40.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.321 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.65 112.4 23.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.993 -0.743 . . . . 15.0 108.993 175.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 445' ' ' THR . 37.8 mtp180 -103.88 107.34 18.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.119 -170.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.748 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.93 92.92 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.181 0.991 . . . . 15.0 110.237 -175.469 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 442' ' ' ASP . 70.0 p -89.85 138.54 31.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.153 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.12 9.9 0.37 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.813 -177.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 440' ' ' THR . 13.9 t70 -79.82 -0.69 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.609 0.718 . . . . 15.0 109.317 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.26 26.95 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.514 -0.766 . . . . 15.0 112.521 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -149.98 129.47 13.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.514 0.673 . . . . 15.0 112.131 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 52.0 m -105.41 134.31 48.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.086 -0.961 . . . . 15.0 108.641 172.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.481 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 19.7 p90 -138.55 147.89 43.59 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.196 -0.602 . . . . 15.0 111.103 -171.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 436' ' ' THR . 18.8 m-85 -91.04 112.63 24.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.047 -176.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -89.76 126.19 35.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 49.7 t-20 -89.74 107.74 19.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.909 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.248 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.91 -28.05 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.504 -0.317 . . . . 15.0 111.143 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -118.73 -8.34 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.903 -0.319 . . . . 15.0 111.411 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.67 22.09 10.5 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.407 0.623 . . . . 15.0 110.453 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.4 pt-20 -99.66 150.22 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.359 -175.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -89.83 114.93 26.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.19 0.519 . . . . 15.0 109.892 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.0 m -99.67 117.44 34.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.195 -174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -109.02 2.78 21.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.371 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.417 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 3.5 pt-20 -99.39 142.53 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 15.0 110.509 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -77.27 117.92 68.51 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.848 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.823 2.349 . . . . 15.0 111.754 174.217 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.716 ' HA ' HD21 ' A' ' 450' ' ' ASN . 4.0 mp0 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 111.743 0.275 . . . . 15.0 111.743 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 37.8 m95 -120.11 107.33 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.112 0.482 . . . . 15.0 111.274 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.712 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 74.5 m -89.91 129.26 36.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.154 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 7.6 pt-20 -89.93 111.5 22.58 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.247 -1.02 . . . . 15.0 108.247 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.601 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 40.2 mtp180 -99.53 114.4 27.38 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 119.636 -0.826 . . . . 15.0 109.357 -174.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -89.72 94.01 9.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.318 -0.856 . . . . 15.0 109.893 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 136.98 32.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.59 -1.186 . . . . 15.0 110.438 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -74.93 4.38 6.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 110.98 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.15 0.39 45.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.461 -0.79 . . . . 15.0 109.612 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.47 34.74 10.06 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.6 -0.727 . . . . 15.0 112.302 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HD3' ' HH2' ' A' ' 457' ' ' TRP . 13.0 ptpt -150.05 123.29 8.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.407 0.622 . . . . 15.0 112.084 -177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 68.0 m -95.29 134.24 38.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.675 171.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.601 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 23.2 p90 -139.62 142.41 37.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 119.839 -0.744 . . . . 15.0 110.737 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.712 ' HA ' ' O ' ' A' ' 436' ' ' THR . 29.7 m-85 -90.09 111.43 22.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.541 -0.754 . . . . 15.0 110.187 -176.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -89.8 122.33 32.77 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.606 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.613 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.8 t-20 -89.64 120.41 30.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.317 -0.856 . . . . 15.0 110.416 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.716 HD21 ' HA ' ' A' ' 434' ' ' GLU . 9.6 p30 -92.7 -5.38 51.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.692 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.613 ' HB2' HD21 ' A' ' 449' ' ' ASN . 3.7 mmp_? -72.45 -53.74 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.419 . . . . 15.0 111.211 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.4 t -120.02 -0.01 10.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.782 -0.644 . . . . 15.0 110.524 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.5 85.06 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.621 0.724 . . . . 15.0 110.593 -174.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.17 142.23 23.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.077 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.6 p -90.05 109.35 20.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.171 0.51 . . . . 15.0 109.78 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 21.3 m -93.59 108.58 20.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.422 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.432 ' HH2' ' HD3' ' A' ' 444' ' ' LYS . 88.3 m95 -106.19 -2.46 22.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.296 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 6.0 pt-20 -90.3 138.64 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.713 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.53 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 57.3 tptt -89.47 113.18 55.6 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.095 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 67.8 Cg_endo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.788 2.325 . . . . 15.0 111.69 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.07 0.462 . . . . 15.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -91.75 -16.21 27.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.966 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -89.92 120.94 31.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.7 -0.481 . . . . 15.0 109.7 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.9 m -91.89 124.91 36.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.708 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 9.1 pt-20 -89.74 113.44 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 173.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 445' ' ' THR . 57.7 mtp180 -92.3 111.14 22.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.644 -173.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -89.97 92.08 8.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.012 -0.995 . . . . 15.0 110.038 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.1 p -89.99 137.34 32.42 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.508 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.62 5.0 1.57 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.358 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.24 -5.12 40.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 15.0 110.013 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 32.51 9.62 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.393 -0.821 . . . . 15.0 112.638 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.477 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 10.8 pttm -150.12 137.3 19.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.001 0.429 . . . . 15.0 111.375 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -113.68 144.14 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.938 -0.764 . . . . 15.0 108.938 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 12.1 p90 -144.69 140.41 28.59 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.83 -0.348 . . . . 15.0 110.665 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.8 m-85 -89.81 92.16 8.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 15.0 110.068 -174.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -91.1 124.97 35.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.606 -0.725 . . . . 15.0 110.131 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -136.89 133.16 35.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.736 -0.839 . . . . 15.0 108.736 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -65.78 -14.94 62.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.881 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.52 -39.59 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.454 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 m -112.99 -9.0 13.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.186 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.64 27.17 16.88 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.859 -0.609 . . . . 15.0 110.373 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.69 150.19 49.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.782 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.1 p -90.0 115.05 26.99 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.576 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 33.4 m -90.0 128.36 36.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.243 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.477 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 37.1 m95 -104.6 -20.96 13.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.18 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.14 149.36 48.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.464 -0.789 . . . . 15.0 110.439 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.896 ' HE3' ' HA ' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -79.35 113.85 40.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 15.0 111.083 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.447 2.098 . . . . 15.0 111.301 172.597 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.094 0.474 . . . . 15.0 110.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -106.8 -6.38 17.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 15.0 110.987 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 13.1 m95 -105.18 113.45 27.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 15.0 111.165 -173.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.621 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.4 m -89.92 130.49 36.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.757 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 3.1 pt-20 -89.85 111.38 22.39 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 170.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -101.42 96.44 7.16 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.804 -0.758 . . . . 15.0 109.308 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 34.7 ttmt -98.95 93.98 6.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.523 -1.217 . . . . 15.0 110.326 -173.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.2 p -89.65 150.04 22.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.547 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.24 4.95 2.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 15.0 112.072 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -7.45 56.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.783 0.801 . . . . 15.0 109.214 172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.22 33.8 8.54 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.251 -0.886 . . . . 15.0 112.118 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -135.82 130.59 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.481 . . . . 15.0 110.965 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.1 m -117.89 129.5 55.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -143.91 150.24 38.08 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.513 -0.475 . . . . 15.0 110.871 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.621 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-30 -89.77 110.27 21.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.505 . . . . 15.0 109.797 -175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -89.92 125.22 35.28 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.9 t-20 -89.88 107.96 19.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.052 -0.721 . . . . 15.0 109.052 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -82.14 -3.26 54.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.866 -175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 451' ' ' ARG . 38.0 ttp180 -83.19 -47.45 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.108 0.48 . . . . 15.0 110.06 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.9 p -105.61 -6.01 19.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.293 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.68 27.96 7.47 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.562 -0.745 . . . . 15.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.4 pt-20 -100.87 150.2 23.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.664 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.7 p -89.89 111.87 23.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.6 m -101.24 105.63 16.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.274 0.559 . . . . 15.0 110.863 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -94.95 -12.57 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.385 0.612 . . . . 15.0 110.025 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.73 106.64 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.283 -0.871 . . . . 15.0 108.961 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 116.67 64.77 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.6 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.794 2.33 . . . . 15.0 111.24 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.294 0.569 . . . . 15.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 434' ' ' GLU . 7.1 pt-20 -96.51 -12.51 24.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.465 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -99.14 114.88 27.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.39 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.744 HG22 ' HG3' ' A' ' 438' ' ' ARG . 53.5 m -96.6 119.87 35.86 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.248 173.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -90.03 109.33 20.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.312 -0.996 . . . . 15.0 108.312 174.394 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.744 ' HG3' HG22 ' A' ' 436' ' ' THR . 16.6 mtp180 -101.76 97.28 7.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.279 0.562 . . . . 15.0 110.542 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.26 101.74 14.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.575 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.84 147.2 23.92 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.904 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.22 -7.23 1.8 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.061 0.763 . . . . 15.0 113.061 -172.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.18 -10.03 51.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.439 0.637 . . . . 15.0 109.965 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 31.22 11.02 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.515 -0.766 . . . . 15.0 112.321 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.51 ' HD2' ' CH2' ' A' ' 457' ' ' TRP . 9.9 pttm -140.18 127.64 21.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 15.0 111.413 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 17.0 m -105.45 144.73 31.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.036 -0.984 . . . . 15.0 109.719 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -146.06 139.09 25.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.6 m-85 -89.75 109.17 20.18 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -89.37 121.36 31.54 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.523 ' HB2' ' HG2' ' A' ' 454' ' ' GLU . 3.5 m-20 -89.9 115.16 27.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.043 -0.98 . . . . 15.0 109.382 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -76.26 -20.31 57.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 15.0 110.854 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -84.87 -26.08 27.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.564 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.8 p -120.02 -2.73 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.126 0.417 . . . . 15.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 59.72 37.02 22.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.36 0.412 . . . . 15.0 111.474 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 449' ' ' ASN . 11.6 pt-20 -118.62 150.29 39.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.682 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -99.35 105.59 17.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 170.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.9 m -89.92 115.97 27.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.698 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 444' ' ' LYS . 72.5 m95 -99.67 -2.26 35.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.565 0.698 . . . . 15.0 110.024 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 7.3 mm-40 -81.59 120.43 25.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.744 -1.116 . . . . 15.0 108.693 174.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 459' ' ' LYS . 8.3 tmtm? -78.51 117.06 64.17 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.837 0.351 . . . . 15.0 110.799 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 73.9 Cg_endo . . . . . 0 C--O 1.246 0.899 0 C-N-CA 123.044 2.496 . . . . 15.0 111.348 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 110.072 -0.344 . . . . 15.0 110.072 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -82.8 -11.57 58.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 15.0 110.89 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -101.52 107.14 18.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.736 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -89.97 123.22 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 15.0 110.602 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 447' ' ' TYR . 7.5 pt-20 -90.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.445 176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 445' ' ' THR . 35.7 mtp180 -93.67 101.64 13.79 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 119.973 -0.691 . . . . 15.0 109.673 -172.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.864 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.0 100.44 13.26 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.163 -176.573 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.6 p -89.76 150.12 22.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.778 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.04 4.08 2.33 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.356 0.873 . . . . 15.0 113.356 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.68 -10.07 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.779 0.799 . . . . 15.0 109.036 171.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 32.37 9.69 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.654 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -136.11 117.58 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.558 0.694 . . . . 15.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 34.1 m -100.04 146.21 27.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.113 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.493 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 25.5 p90 -146.49 145.3 30.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.837 -0.345 . . . . 15.0 110.121 -177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.2 m-85 -91.9 108.48 19.95 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.475 0.655 . . . . 15.0 111.136 -175.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.92 114.58 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.863 -1.062 . . . . 15.0 108.66 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.488 HD21 ' HB2' ' A' ' 451' ' ' ARG . 45.1 t30 -118.97 144.73 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.405 -176.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -109.3 7.91 25.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.023 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB2' HD21 ' A' ' 449' ' ' ASN . 33.9 mmt180 -61.75 -48.61 79.89 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.818 -0.353 . . . . 15.0 110.722 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 73.1 p -120.03 0.38 10.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.052 168.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 452' ' ' THR . . . 76.9 43.59 0.12 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.868 0.867 . . . . 15.0 109.846 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -100.66 145.99 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.323 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.7 p -98.18 112.43 24.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.618 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 29.1 m -101.63 124.22 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.062 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -112.53 -1.83 14.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.27 0.557 . . . . 15.0 110.308 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 33.7 tt0 -86.1 136.33 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.429 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.602 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 54.9 tptt -87.48 115.05 61.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.743 0.306 . . . . 15.0 111.372 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.602 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 42.4 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.945 2.43 . . . . 15.0 111.208 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.842 0.353 . . . . 15.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -105.55 9.84 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.255 0.55 . . . . 15.0 110.087 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -97.91 129.81 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.439 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.728 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.9 m -89.72 123.41 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.305 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -101.04 108.09 19.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 445' ' ' THR . 40.3 mtt180 -106.14 106.14 16.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.852 -0.739 . . . . 15.0 110.115 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 6.5 ptpt -90.03 97.92 11.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.896 -174.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.1 p -89.58 147.3 24.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.715 -1.13 . . . . 15.0 110.716 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.41 14.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.233 0.827 . . . . 15.0 113.233 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.557 ' HB3' ' HG2' ' A' ' 444' ' ' LYS . 30.6 t70 -84.42 -6.46 59.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.638 0.732 . . . . 15.0 109.541 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 23.12 32.86 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.557 ' HG2' ' HB3' ' A' ' 442' ' ' ASP . 21.9 pttp -139.51 130.95 26.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.207 0.527 . . . . 15.0 110.929 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.5 t -103.34 149.98 24.23 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.421 -0.955 . . . . 15.0 108.421 170.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 19.3 p90 -129.14 134.02 47.87 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 119.566 -0.854 . . . . 15.0 110.533 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.728 ' HA ' ' O ' ' A' ' 436' ' ' THR . 27.6 m-85 -89.94 111.94 23.16 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.102 -0.954 . . . . 15.0 109.659 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.541 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 22.0 t80 -89.68 122.51 32.87 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.879 -0.6 . . . . 15.0 109.54 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.98 116.45 28.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.43 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.7 -13.32 59.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.215 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -84.13 -32.86 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.396 -0.366 . . . . 15.0 111.221 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 p -120.3 -1.9 10.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.413 -0.358 . . . . 15.0 111.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 61.67 32.06 18.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.988 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.88 150.5 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.608 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.1 p -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.123 0.487 . . . . 15.0 109.936 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.0 m -92.73 119.4 32.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 15.0 110.196 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 76.5 m95 -104.74 0.83 28.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.153 0.501 . . . . 15.0 110.865 -177.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 40.1 mt-10 -88.31 139.97 29.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.119 175.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.777 ' HE3' ' HD2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -69.83 110.32 6.34 Favored Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.287 0.367 . . . . 15.0 111.709 -174.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.777 ' HD2' ' HE3' ' A' ' 459' ' ' LYS . 35.6 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.202 2.601 . . . . 15.0 111.561 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.615 ' HB3' HD21 ' A' ' 449' ' ' ASN . 22.8 mt-10 -71.66 -33.11 68.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.039 0.447 . . . . 15.0 111.343 -175.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 50.3 m95 -91.03 100.46 13.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 15.0 110.174 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.0 m -90.15 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 15.0 111.249 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -89.74 119.33 30.04 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 445' ' ' THR . 45.5 mtp180 -98.73 114.17 26.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.122 -0.49 . . . . 15.0 109.783 -175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.765 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.86 90.08 8.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.845 0.831 . . . . 15.0 109.46 -177.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 442' ' ' ASP . 41.9 m -89.87 132.32 35.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.846 -1.07 . . . . 15.0 110.035 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.13 -1.28 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.301 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 440' ' ' THR . 36.1 t70 -78.27 -2.62 38.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.451 0.643 . . . . 15.0 110.349 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 38.8 6.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.862 -0.685 . . . . 15.0 112.585 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -150.08 121.74 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.104 0.478 . . . . 15.0 111.226 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.4 m -106.25 131.08 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 173.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.89 148.22 32.61 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.829 -0.348 . . . . 15.0 110.835 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 20.5 m-85 -89.94 101.97 14.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 15.0 110.88 -175.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -106.13 131.86 52.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.022 -0.535 . . . . 15.0 109.782 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.615 HD21 ' HB3' ' A' ' 434' ' ' GLU . 53.8 t-20 -123.68 129.55 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.834 0.35 . . . . 15.0 110.471 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -70.09 -6.49 34.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.857 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -55.64 31.21 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.085 0.469 . . . . 15.0 110.702 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -120.14 0.32 10.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.495 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.29 43.05 4.96 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.055 -1.091 . . . . 15.0 108.055 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.12 124.18 34.59 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.122 -1.399 . . . . 15.0 110.122 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.1 p -98.16 102.68 14.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.215 0.531 . . . . 15.0 110.113 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 32.1 m -91.14 109.3 20.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 15.0 110.149 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -103.83 -10.32 18.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 1.8 pm0 -88.94 149.99 23.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.529 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 55.5 tptt -86.83 113.93 55.63 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.632 -0.258 . . . . 15.0 110.675 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.917 2.411 . . . . 15.0 111.284 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.027 0.442 . . . . 15.0 110.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -104.14 -6.23 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.646 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 77.1 m95 -126.22 114.2 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.358 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.3 m -89.79 112.78 24.19 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 15.0 110.206 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 124.07 34.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.526 -1.287 . . . . 15.0 107.526 171.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' A' ' 445' ' ' THR . 15.3 mtt180 -112.86 105.08 13.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 120.007 -0.677 . . . . 15.0 110.413 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -89.94 92.56 9.05 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.221 -0.899 . . . . 15.0 109.146 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.4 p -89.88 146.65 24.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.138 -0.937 . . . . 15.0 110.492 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.58 12.76 0.93 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.541 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.409 ' HB3' ' HE2' ' A' ' 444' ' ' LYS . 29.8 t70 -85.54 -3.9 59.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.654 0.74 . . . . 15.0 109.264 175.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 35.7 7.5 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.162 -0.926 . . . . 15.0 112.005 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 442' ' ' ASP . 33.5 pttt -150.11 121.53 7.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.216 0.531 . . . . 15.0 111.407 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.629 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 54.7 m -102.04 127.44 48.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 170.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -129.89 141.01 50.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.871 -0.732 . . . . 15.0 110.9 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.622 ' HA ' ' O ' ' A' ' 436' ' ' THR . 21.2 m-85 -98.2 113.55 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.176 -174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -89.56 126.75 35.73 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.179 0.514 . . . . 15.0 109.667 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.434 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 16.6 t-20 -89.88 113.49 25.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.352 -0.84 . . . . 15.0 110.078 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -88.88 1.87 54.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.53 -0.305 . . . . 15.0 110.906 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -73.58 -52.19 14.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.831 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.052 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.79 76.34 0.27 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.962 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.98 150.26 31.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.214 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 p -89.91 110.83 21.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.31 0.576 . . . . 15.0 110.2 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -90.33 102.01 14.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.086 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -93.45 3.5 55.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.854 0.835 . . . . 15.0 109.093 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 28.1 mt-10 -87.73 134.79 33.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.763 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -72.05 113.21 18.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.732 0.301 . . . . 15.0 111.15 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 71.9 Cg_endo . . . . . 0 C--O 1.246 0.925 0 C-N-CA 122.991 2.46 . . . . 15.0 111.625 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 121.014 0.435 . . . . 15.0 110.258 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' HD21 ' A' ' 449' ' ' ASN . 10.4 tp10 -86.14 -30.53 22.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.243 0.544 . . . . 15.0 110.398 -175.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.591 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 64.4 m95 -99.86 126.93 46.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.357 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.5 m -89.95 125.64 35.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 15.0 111.193 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.404 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 13.7 pt-20 -89.75 113.63 25.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' A' ' 445' ' ' THR . 65.0 mtp180 -101.39 105.22 16.23 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.437 -0.505 . . . . 15.0 110.057 -174.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -92.24 89.93 7.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.648 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.0 t -91.07 144.22 25.88 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.027 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.5 -4.37 3.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.76 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.49 -12.59 45.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.494 0.664 . . . . 15.0 109.962 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.3 34.43 8.08 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.288 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.584 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 15.8 pttm -146.27 127.8 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.135 0.493 . . . . 15.0 111.326 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 73.5 m -108.89 126.25 52.86 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 12.0 p90 -136.82 144.14 43.51 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 120.508 -0.477 . . . . 15.0 110.236 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 436' ' ' THR . 30.1 m-85 -90.56 89.72 7.68 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.4 0.619 . . . . 15.0 109.941 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 3.9 t80 -94.09 128.51 40.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.433 -0.803 . . . . 15.0 109.195 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.784 HD21 ' HG3' ' A' ' 434' ' ' GLU . 38.6 t-20 -127.13 134.13 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.936 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -67.51 -21.52 65.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.099 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -71.1 -19.81 62.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.389 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.7 p -120.05 -10.03 9.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.922 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 55.4 28.6 11.75 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.065 0.46 . . . . 15.0 110.465 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -137.79 150.17 46.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.21 -170.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 10.2 p -95.49 119.31 33.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 15.0 111.031 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 32.0 m -95.93 128.42 42.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.978 -0.555 . . . . 15.0 109.953 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.584 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 72.1 m95 -102.51 -22.3 14.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.267 0.556 . . . . 15.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.01 130.41 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 15.0 110.492 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -74.15 113.34 22.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.257 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.768 2.312 . . . . 15.0 111.906 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.89 0.376 . . . . 15.0 110.086 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.491 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 1.7 mp0 -83.46 3.06 33.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.036 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 103.81 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.277 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -95.81 122.21 38.36 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.075 -0.25 . . . . 15.0 111.002 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -89.78 108.61 19.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 436' ' ' THR . 68.9 mtp180 -95.74 101.46 13.15 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.056 -173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -89.83 96.02 10.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.485 -0.779 . . . . 15.0 109.698 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.6 p -89.71 148.0 23.53 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.249 -0.887 . . . . 15.0 111.497 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.31 -2.49 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.605 -0.725 . . . . 15.0 111.452 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.29 -8.1 36.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.717 0.77 . . . . 15.0 109.651 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 26.42 24.26 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.434 -0.803 . . . . 15.0 111.994 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -149.04 134.29 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.382 0.611 . . . . 15.0 111.332 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -107.53 145.41 33.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.147 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.9 p90 -143.61 137.69 28.5 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.077 0.465 . . . . 15.0 110.374 -177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.81 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.4 m-85 -89.73 99.07 12.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.871 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -89.41 111.61 22.53 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.757 -0.831 . . . . 15.0 108.757 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.714 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.0 t30 -95.24 124.94 39.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.84 -1.073 . . . . 15.0 110.757 -176.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -77.87 -15.08 59.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.568 ' HB2' HD21 ' A' ' 449' ' ' ASN . 32.7 mtp180 -74.65 -36.29 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 15.0 111.736 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 m -120.21 -8.17 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.933 -0.307 . . . . 15.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.18 34.94 13.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.519 0.676 . . . . 15.0 109.675 -171.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.714 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -103.72 150.26 24.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.083 -0.962 . . . . 15.0 110.481 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.8 t -101.54 107.91 19.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.442 0.639 . . . . 15.0 109.767 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.81 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 53.3 m -89.97 121.18 31.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.994 -1.003 . . . . 15.0 110.007 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 97.8 m95 -106.78 0.19 23.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.951 0.405 . . . . 15.0 111.273 -175.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.98 135.03 50.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.687 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -74.03 116.67 54.65 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.631 -0.507 . . . . 15.0 109.631 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 122.509 2.139 . . . . 15.0 111.909 -179.37 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.896 0.379 . . . . 15.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 0.7 OUTLIER -79.15 -21.3 46.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.936 -179.148 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -94.74 107.87 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.43 -0.581 . . . . 15.0 109.43 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.6 m -89.81 127.35 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.308 -0.405 . . . . 15.0 111.533 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.9 114.19 25.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.511 -0.922 . . . . 15.0 108.511 173.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.609 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.9 mtp180 -102.16 108.9 20.44 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.357 -0.608 . . . . 15.0 109.357 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.754 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.87 95.14 10.1 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 122.135 0.969 . . . . 15.0 110.099 -176.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.58 HG22 ' H ' ' A' ' 442' ' ' ASP . 99.0 m -89.77 132.08 35.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.136 -1.393 . . . . 15.0 110.311 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.04 0.88 3.13 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.58 ' H ' HG22 ' A' ' 440' ' ' THR . 18.1 t70 -76.43 -5.52 47.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 15.0 110.199 176.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 36.26 7.3 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.678 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -145.07 113.44 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.291 0.567 . . . . 15.0 111.571 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.8 m -99.83 140.91 33.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 170.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.609 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 7.7 p90 -149.28 145.13 26.91 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.465 -0.494 . . . . 15.0 110.618 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.669 ' HA ' ' O ' ' A' ' 436' ' ' THR . 24.1 m-85 -90.01 96.38 10.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.411 -176.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.82 121.76 32.26 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.307 -0.627 . . . . 15.0 109.307 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 16.3 t-20 -128.5 136.69 51.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.014 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -81.76 -19.75 40.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.765 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -67.01 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.399 0.618 . . . . 15.0 109.604 178.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.517 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 23.7 p -104.05 -25.02 13.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.536 174.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.68 35.26 9.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.217 -0.901 . . . . 15.0 110.593 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 2.4 pp20? -146.83 150.18 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.581 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 m -89.82 119.44 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.24 -0.437 . . . . 15.0 110.469 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.4 m -89.78 124.36 34.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.018 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -102.57 -13.49 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.417 0.627 . . . . 15.0 109.854 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.37 150.01 23.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.033 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -75.4 119.06 75.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.708 0.289 . . . . 15.0 111.042 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--O 1.252 1.206 0 C-N-CA 122.894 2.396 . . . . 15.0 112.036 177.858 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.661 0.267 . . . . 15.0 110.33 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.76 90.88 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.418 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 71.7 m95 -135.05 114.06 12.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.717 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.8 m -90.12 122.78 33.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.33 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 0.3 OUTLIER -90.64 112.64 24.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.734 0.778 . . . . 15.0 109.494 170.484 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.67 ' O ' ' HA ' ' A' ' 445' ' ' THR . 44.7 mtt180 -94.39 115.63 27.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.518 -0.765 . . . . 15.0 110.715 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -89.72 96.65 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.257 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 68.8 p -90.0 148.71 22.91 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.838 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -72.49 6.31 2.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.289 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.06 -5.68 57.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.902 0.858 . . . . 15.0 108.845 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.3 36.58 8.08 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.906 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -150.11 133.04 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 15.0 111.058 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 10.8 t -108.7 135.73 49.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.494 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -128.31 144.24 51.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.802 -0.359 . . . . 15.0 110.717 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-30 -90.07 102.61 15.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.048 0.451 . . . . 15.0 110.133 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -89.64 123.35 33.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.13 0.491 . . . . 15.0 110.187 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.55 HD21 ' HB2' ' A' ' 451' ' ' ARG . 43.7 t30 -91.67 126.33 36.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.365 -0.834 . . . . 15.0 111.155 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -88.07 -9.82 52.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.725 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.55 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.4 mmm180 -68.88 -47.58 65.52 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.843 0.354 . . . . 15.0 111.327 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.798 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.0 -0.09 10.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.148 -178.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.31 53.97 2.69 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.57 0.7 . . . . 15.0 110.18 -174.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.798 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.6 mt-10 -111.52 142.3 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.286 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 p -91.35 101.16 13.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.32 0.581 . . . . 15.0 109.948 171.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 447' ' ' TYR . 63.6 m -89.94 112.84 24.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.455 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -103.95 -0.16 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.998 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.72 123.0 48.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.912 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.82 115.38 12.6 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.694 -175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.803 2.335 . . . . 15.0 111.741 175.238 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.886 0.374 . . . . 15.0 111.265 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 0.4 OUTLIER -88.96 81.31 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.591 0.71 . . . . 15.0 110.464 179.144 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 75.6 m95 -103.77 117.98 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.018 -0.537 . . . . 15.0 110.329 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.1 m -90.3 128.67 36.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.025 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.67 108.48 19.7 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 445' ' ' THR . 71.8 mtp180 -89.87 106.06 18.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.452 -172.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -93.07 94.01 8.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.228 -1.351 . . . . 15.0 110.406 -172.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -89.85 145.93 24.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.791 -0.641 . . . . 15.0 110.306 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.79 -4.3 12.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.586 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.37 -8.47 40.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.583 0.706 . . . . 15.0 109.818 173.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 36.57 7.13 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.495 -0.775 . . . . 15.0 112.808 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -150.02 139.34 21.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 15.0 110.924 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 4.6 t -113.51 149.95 33.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.492 -0.558 . . . . 15.0 109.492 174.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -144.45 139.62 28.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.942 -0.392 . . . . 15.0 109.942 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.853 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 12.6 m-85 -89.8 98.69 11.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.52 . . . . 15.0 110.101 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.0 128.07 51.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.68 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 53.3 t-20 -133.12 132.62 41.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.92 -6.79 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.087 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.25 -48.68 65.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.485 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.5 m -119.95 -1.11 10.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.327 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.62 36.15 19.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.525 0.678 . . . . 15.0 109.935 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -104.24 142.09 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.9 -1.045 . . . . 15.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -92.15 114.74 27.36 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.655 -0.702 . . . . 15.0 109.374 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.853 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 m -89.92 115.34 27.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 15.0 110.269 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -109.94 -4.76 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.26 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -93.87 130.93 39.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.901 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -71.69 115.12 34.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.449 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 122.868 2.379 . . . . 15.0 111.603 175.521 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.614 0.245 . . . . 15.0 111.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.89 -11.75 21.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.927 0.394 . . . . 15.0 111.055 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -106.7 111.07 23.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 15.0 109.973 -176.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 44.3 m -95.01 128.86 42.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.083 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 2.5 pt-20 -89.47 115.89 27.24 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 171.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 445' ' ' THR . 18.0 ttt180 -96.23 98.8 10.59 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -89.61 94.0 9.69 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.631 0.729 . . . . 15.0 109.304 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.1 p -89.76 145.52 25.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.811 -1.086 . . . . 15.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.99 3.4 2.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.301 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -5.24 32.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.689 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 25.05 28.14 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.443 -0.798 . . . . 15.0 112.111 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 7.8 pttm -150.08 133.81 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.219 0.533 . . . . 15.0 111.596 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.6 t -109.54 146.32 34.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 169.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.447 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 6.8 p90 -141.23 145.89 36.18 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 120.519 -0.473 . . . . 15.0 110.697 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.1 m-30 -89.64 97.37 11.16 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.075 -0.511 . . . . 15.0 109.894 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -89.64 120.67 31.12 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.15 -0.685 . . . . 15.0 109.15 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.78 HD21 ' HB3' ' A' ' 451' ' ' ARG . 43.2 t30 -95.23 127.07 40.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.01 -175.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.46 -11.47 58.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.342 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.78 ' HB3' HD21 ' A' ' 449' ' ' ASN . 41.3 ttm180 -73.79 -43.23 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.044 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 20.6 p -120.42 -0.09 10.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 15.0 112.05 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.94 43.6 21.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.502 0.667 . . . . 15.0 110.406 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.51 145.29 41.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.601 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 38.5 p -90.21 101.14 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.973 -0.558 . . . . 15.0 109.872 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 87.0 m -89.98 130.63 36.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.955 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.486 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 86.9 m95 -116.05 -3.8 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 15.0 111.102 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.463 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.0 mp0 -101.2 146.06 28.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.433 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -85.49 108.76 17.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.361 -0.607 . . . . 15.0 109.361 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 14.4 Cg_exo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 122.26 1.973 . . . . 15.0 112.159 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.044 0.45 . . . . 15.0 110.574 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.97 -25.08 63.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.364 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 55.1 m95 -99.25 123.39 43.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.8 -0.637 . . . . 15.0 110.492 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 92.4 m -94.99 113.38 25.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.926 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -89.99 105.69 17.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 445' ' ' THR . 17.8 ttt180 -96.02 111.91 23.79 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.783 -0.767 . . . . 15.0 110.023 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.796 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.88 97.83 11.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.792 0.806 . . . . 15.0 109.757 -179.532 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 442' ' ' ASP . 29.5 m -90.04 134.62 34.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.678 -1.147 . . . . 15.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.47 1.29 1.73 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.102 -0.499 . . . . 15.0 112.081 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 440' ' ' THR . 21.1 t70 -80.31 -7.35 59.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.732 . . . . 15.0 110.203 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 39.04 6.21 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.675 -0.693 . . . . 15.0 112.382 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -149.88 130.06 13.63 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.261 0.553 . . . . 15.0 111.236 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 3.3 m -103.85 144.76 31.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.038 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.65 147.19 27.8 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.205 -0.598 . . . . 15.0 111.146 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.8 m-85 -90.11 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.754 -0.657 . . . . 15.0 109.966 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.31 121.1 31.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.925 -0.769 . . . . 15.0 108.925 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.44 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.4 t-20 -89.88 111.43 22.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.917 -174.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -80.08 -18.81 48.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.144 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -89.08 -25.8 21.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.249 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.1 m -118.78 -2.99 10.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.587 -0.279 . . . . 15.0 111.45 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.92 45.24 18.56 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.117 0.484 . . . . 15.0 111.359 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.671 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 pt-20 -132.94 150.13 52.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.705 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -93.55 108.22 19.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.931 0.396 . . . . 15.0 110.375 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 m -94.55 124.41 38.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.57 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -110.85 -5.71 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.15 0.5 . . . . 15.0 110.562 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.48 149.42 26.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.166 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.463 ' HD3' ' HD2' ' A' ' 460' ' ' PRO . 17.1 tppt? -62.68 112.69 7.09 Favored Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.027 0.205 . . . . 15.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.991 2.461 . . . . 15.0 112.422 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 120.668 0.27 . . . . 15.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.515 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 18.5 tp10 -90.41 -34.92 15.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 15.0 109.391 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -95.04 101.62 13.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.931 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 91.3 m -89.84 122.22 32.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.506 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 100.07 12.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.786 0.803 . . . . 15.0 108.87 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 16.8 mtp180 -90.22 94.87 9.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.159 -172.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.84 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.71 100.41 13.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.428 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.3 p -89.79 149.89 22.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.68 -1.145 . . . . 15.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.99 -6.76 13.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.43 -12.63 58.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.813 -0.63 . . . . 15.0 110.038 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 36.23 7.26 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.575 -0.739 . . . . 15.0 112.102 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.09 0.472 . . . . 15.0 111.214 -178.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 12.5 t -104.11 146.38 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.162 173.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -148.24 143.26 26.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.811 -0.44 . . . . 15.0 109.811 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -90.11 101.12 13.83 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.392 0.615 . . . . 15.0 109.605 -173.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -89.75 125.6 35.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.404 -0.816 . . . . 15.0 109.81 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.97 117.71 28.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.437 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.74 -12.52 57.48 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.453 -0.499 . . . . 15.0 110.772 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.515 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 57.9 mtp180 -58.15 -57.13 14.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 15.0 111.339 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 p -112.56 -1.45 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.868 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.31 35.51 5.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.599 0.562 . . . . 15.0 111.24 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.01 148.25 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 15.0 110.418 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 t -94.27 121.36 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 15.0 110.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -103.22 116.27 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.744 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.01 -6.8 21.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.707 0.765 . . . . 15.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.16 129.06 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.953 -1.022 . . . . 15.0 109.887 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -76.44 116.35 55.56 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-O 120.749 0.309 . . . . 15.0 110.949 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 123.142 2.562 . . . . 15.0 112.071 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 121.108 0.48 . . . . 15.0 110.113 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.32 -11.05 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 15.0 111.135 -171.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -121.19 109.24 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.332 -173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.1 m -89.93 128.6 36.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.313 177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 12.6 pt-20 -89.79 106.88 18.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.507 -0.923 . . . . 15.0 108.507 174.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 445' ' ' THR . 52.3 mtp180 -96.81 99.32 10.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.434 ' HD3' ' HB ' ' A' ' 445' ' ' THR . 21.7 tptm -89.8 101.53 14.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.361 -175.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.1 p -89.68 149.11 22.92 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.435 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.05 2.79 3.22 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.794 -0.639 . . . . 15.0 112.109 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.36 -6.06 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.699 0.762 . . . . 15.0 109.67 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.24 16.1 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.538 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -142.6 126.86 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.294 0.568 . . . . 15.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.5 t -102.67 147.89 26.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.382 -0.827 . . . . 15.0 109.022 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.496 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 24.8 p90 -142.02 140.55 32.67 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.71 ' HA ' ' O ' ' A' ' 436' ' ' THR . 15.8 m-85 -89.75 99.7 12.65 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.148 0.499 . . . . 15.0 110.292 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.46 125.54 35.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.207 -0.664 . . . . 15.0 109.207 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -117.51 135.36 53.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.178 -0.465 . . . . 15.0 112.059 -173.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -88.89 -14.53 36.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.406 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 451' ' ' ARG . 27.9 mmt180 -70.13 -41.02 74.46 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.867 0.365 . . . . 15.0 111.279 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 p -115.17 -0.39 13.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.679 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.55 30.31 15.12 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.58 -0.736 . . . . 15.0 111.275 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.32 149.87 28.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.074 0.464 . . . . 15.0 111.11 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 p -90.43 105.86 18.1 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.909 -0.774 . . . . 15.0 108.909 168.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.8 m -89.67 111.01 21.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.011 -0.541 . . . . 15.0 111.07 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -97.68 -1.22 44.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.513 0.673 . . . . 15.0 109.431 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mm-40 -78.88 129.07 34.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.635 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.41 108.84 13.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.23 1.954 . . . . 15.0 111.802 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 121.095 0.474 . . . . 15.0 110.259 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.8 OUTLIER -102.18 -13.57 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.563 . . . . 15.0 110.593 178.198 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 69.4 m95 -91.04 124.63 35.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.617 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -89.8 123.04 33.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.83 0.347 . . . . 15.0 110.235 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.54 97.68 11.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.669 -0.864 . . . . 15.0 108.669 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.8 mtt180 -90.61 102.01 14.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.839 -169.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -94.6 97.92 10.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.907 -1.042 . . . . 15.0 110.146 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.871 -1.059 . . . . 15.0 110.916 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.82 -9.88 23.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.706 -0.679 . . . . 15.0 111.425 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.12 -9.65 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.469 0.652 . . . . 15.0 110.076 175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 40.88 5.66 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.696 -0.684 . . . . 15.0 112.284 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -150.13 134.27 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.065 0.46 . . . . 15.0 110.949 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 94.5 m -112.78 136.1 52.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.677 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -145.39 139.46 26.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.557 0.218 . . . . 15.0 110.728 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.617 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -90.1 96.43 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.261 0.553 . . . . 15.0 110.634 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -95.79 131.71 41.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.068 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.5 t-20 -137.73 133.73 34.48 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.38 -0.79 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.64 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -52.85 -50.84 62.95 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.225 0.536 . . . . 15.0 110.357 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.4 p -119.95 -0.16 10.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.678 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.18 34.06 11.29 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.584 -0.734 . . . . 15.0 110.799 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.93 149.99 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.299 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.5 p -94.33 114.99 27.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.513 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 12.8 m -90.31 115.98 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.806 -176.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -105.17 -25.98 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.527 -0.761 . . . . 15.0 109.866 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.69 131.89 35.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.99 177.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.83 121.33 64.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.54 -0.17 . . . . 15.0 110.54 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.447 2.765 . . . . 15.0 112.753 -179.114 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.175 0.512 . . . . 15.0 110.695 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.409 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 2.7 mp0 -79.15 -38.93 34.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.543 -175.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -119.14 103.24 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.391 . . . . 15.0 109.943 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.643 HG22 ' HG3' ' A' ' 438' ' ' ARG . 74.5 m -94.46 109.89 21.73 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.786 -0.366 . . . . 15.0 110.526 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 5.4 pt-20 -89.77 105.08 17.56 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 171.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG22 ' A' ' 436' ' ' THR . 38.7 mtt180 -89.97 116.5 28.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.558 -1.201 . . . . 15.0 110.532 -170.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 439' ' ' LYS . 6.3 mtpm? -89.77 102.43 15.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.796 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.5 p -89.92 149.82 22.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.676 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.72 62.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.22 -13.03 33.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.381 0.61 . . . . 15.0 110.779 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 34.58 8.18 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.483 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.59 135.17 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.985 0.422 . . . . 15.0 110.142 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.605 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.3 t -110.52 147.82 33.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.606 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -142.33 142.4 32.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.776 -0.37 . . . . 15.0 110.76 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.818 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.7 m-85 -89.96 98.51 11.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.75 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -89.93 118.85 29.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -115.7 132.92 56.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.47 -0.787 . . . . 15.0 110.87 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.5 -4.16 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.934 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.409 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 36.4 mmt180 -70.66 -48.92 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.841 0.353 . . . . 15.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -120.08 -1.64 10.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.182 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.15 83.89 0.15 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.829 0.706 . . . . 15.0 110.428 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 149.98 36.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.056 -173.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -116.89 95.25 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.87 0.843 . . . . 15.0 110.158 173.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.818 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 94.4 m -93.07 112.73 24.78 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.979 -1.009 . . . . 15.0 111.227 -174.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.6 -6.07 50.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.95 0.405 . . . . 15.0 111.563 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.38 125.28 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.231 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -76.87 120.19 80.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.908 2.405 . . . . 15.0 112.039 178.392 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.274 0.559 . . . . 15.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -90.06 -2.07 58.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.706 -168.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 12.3 m95 -105.23 112.09 25.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.996 0.427 . . . . 15.0 111.775 -170.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 438' ' ' ARG . 55.3 m -108.77 119.64 40.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.321 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.65 112.4 23.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.993 -0.743 . . . . 15.0 108.993 175.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 445' ' ' THR . 37.8 mtp180 -103.88 107.34 18.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.119 -170.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.748 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.93 92.92 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.181 0.991 . . . . 15.0 110.237 -175.469 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 442' ' ' ASP . 70.0 p -89.85 138.54 31.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.153 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.12 9.9 0.37 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.813 -177.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 440' ' ' THR . 13.9 t70 -79.82 -0.69 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.609 0.718 . . . . 15.0 109.317 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.26 26.95 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.514 -0.766 . . . . 15.0 112.521 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -149.98 129.47 13.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.514 0.673 . . . . 15.0 112.131 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 52.0 m -105.41 134.31 48.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.086 -0.961 . . . . 15.0 108.641 172.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.481 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 19.7 p90 -138.55 147.89 43.59 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.196 -0.602 . . . . 15.0 111.103 -171.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 436' ' ' THR . 18.8 m-85 -91.04 112.63 24.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.047 -176.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -89.76 126.19 35.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 49.7 t-20 -89.74 107.74 19.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.909 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.248 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.91 -28.05 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.504 -0.317 . . . . 15.0 111.143 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -118.73 -8.34 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.903 -0.319 . . . . 15.0 111.411 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.67 22.09 10.5 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.407 0.623 . . . . 15.0 110.453 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.4 pt-20 -99.66 150.22 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.359 -175.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -89.83 114.93 26.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.19 0.519 . . . . 15.0 109.892 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.0 m -99.67 117.44 34.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.195 -174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -109.02 2.78 21.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.371 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.417 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 3.5 pt-20 -99.39 142.53 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 15.0 110.509 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -77.27 117.92 68.51 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.848 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.823 2.349 . . . . 15.0 111.754 174.217 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.655 0.264 . . . . 15.0 111.373 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.716 ' HA ' HD21 ' A' ' 450' ' ' ASN . 4.0 mp0 -100.47 -10.07 21.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.743 -174.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 37.8 m95 -120.11 107.33 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.112 0.482 . . . . 15.0 111.274 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.712 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 74.5 m -89.91 129.26 36.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.154 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 437' ' ' GLU . 7.6 pt-20 -89.93 111.5 22.58 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.247 -1.02 . . . . 15.0 108.247 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.601 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 40.2 mtp180 -99.53 114.4 27.38 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 119.636 -0.826 . . . . 15.0 109.357 -174.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -89.72 94.01 9.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.318 -0.856 . . . . 15.0 109.893 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 136.98 32.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.59 -1.186 . . . . 15.0 110.438 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -74.93 4.38 6.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 110.98 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.15 0.39 45.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.461 -0.79 . . . . 15.0 109.612 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.47 34.74 10.06 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.6 -0.727 . . . . 15.0 112.302 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HD3' ' HH2' ' A' ' 457' ' ' TRP . 13.0 ptpt -150.05 123.29 8.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.407 0.622 . . . . 15.0 112.084 -177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 68.0 m -95.29 134.24 38.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.675 171.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.601 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 23.2 p90 -139.62 142.41 37.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 119.839 -0.744 . . . . 15.0 110.737 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.712 ' HA ' ' O ' ' A' ' 436' ' ' THR . 29.7 m-85 -90.09 111.43 22.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.541 -0.754 . . . . 15.0 110.187 -176.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -89.8 122.33 32.77 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.606 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.613 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.8 t-20 -89.64 120.41 30.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.317 -0.856 . . . . 15.0 110.416 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.716 HD21 ' HA ' ' A' ' 434' ' ' GLU . 9.6 p30 -92.7 -5.38 51.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.692 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.613 ' HB2' HD21 ' A' ' 449' ' ' ASN . 3.7 mmp_? -72.45 -53.74 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.419 . . . . 15.0 111.211 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.4 t -120.02 -0.01 10.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.782 -0.644 . . . . 15.0 110.524 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.5 85.06 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.621 0.724 . . . . 15.0 110.593 -174.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.17 142.23 23.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.077 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.6 p -90.05 109.35 20.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.171 0.51 . . . . 15.0 109.78 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 21.3 m -93.59 108.58 20.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.422 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.432 ' HH2' ' HD3' ' A' ' 444' ' ' LYS . 88.3 m95 -106.19 -2.46 22.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.296 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 6.0 pt-20 -90.3 138.64 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.713 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.53 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 57.3 tptt -89.47 113.18 55.6 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.095 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 67.8 Cg_endo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.788 2.325 . . . . 15.0 111.69 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.975 0.417 . . . . 15.0 110.966 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -89.92 120.94 31.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.7 -0.481 . . . . 15.0 109.7 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.9 m -91.89 124.91 36.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.708 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 9.1 pt-20 -89.74 113.44 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 173.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 445' ' ' THR . 57.7 mtp180 -92.3 111.14 22.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.644 -173.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -89.97 92.08 8.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.012 -0.995 . . . . 15.0 110.038 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.1 p -89.99 137.34 32.42 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.508 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.62 5.0 1.57 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.358 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.24 -5.12 40.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 15.0 110.013 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 32.51 9.62 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.393 -0.821 . . . . 15.0 112.638 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.477 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 10.8 pttm -150.12 137.3 19.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.001 0.429 . . . . 15.0 111.375 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -113.68 144.14 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.938 -0.764 . . . . 15.0 108.938 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 12.1 p90 -144.69 140.41 28.59 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.83 -0.348 . . . . 15.0 110.665 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.8 m-85 -89.81 92.16 8.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 15.0 110.068 -174.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -91.1 124.97 35.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.606 -0.725 . . . . 15.0 110.131 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -136.89 133.16 35.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.736 -0.839 . . . . 15.0 108.736 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.78 -14.94 62.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.881 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.52 -39.59 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.454 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 m -112.99 -9.0 13.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.186 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.64 27.17 16.88 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.859 -0.609 . . . . 15.0 110.373 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.69 150.19 49.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.782 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.1 p -90.0 115.05 26.99 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.576 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 33.4 m -90.0 128.36 36.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.243 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.477 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 37.1 m95 -104.6 -20.96 13.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.18 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.14 149.36 48.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.464 -0.789 . . . . 15.0 110.439 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.896 ' HE3' ' HA ' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -79.35 113.85 40.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 15.0 111.083 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.447 2.098 . . . . 15.0 111.301 172.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.722 ' HG3' HD21 ' A' ' 450' ' ' ASN . 41.5 tt0 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 121.324 0.583 . . . . 15.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 13.1 m95 -105.18 113.45 27.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 15.0 111.165 -173.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.621 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.4 m -89.92 130.49 36.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.757 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 3.1 pt-20 -89.85 111.38 22.39 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 170.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -101.42 96.44 7.16 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.804 -0.758 . . . . 15.0 109.308 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 34.7 ttmt -98.95 93.98 6.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.523 -1.217 . . . . 15.0 110.326 -173.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.2 p -89.65 150.04 22.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.547 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.24 4.95 2.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 15.0 112.072 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -7.45 56.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.783 0.801 . . . . 15.0 109.214 172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.22 33.8 8.54 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.251 -0.886 . . . . 15.0 112.118 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -135.82 130.59 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.481 . . . . 15.0 110.965 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.1 m -117.89 129.5 55.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -143.91 150.24 38.08 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.513 -0.475 . . . . 15.0 110.871 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.621 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-30 -89.77 110.27 21.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.505 . . . . 15.0 109.797 -175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -89.92 125.22 35.28 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.9 t-20 -89.88 107.96 19.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.052 -0.721 . . . . 15.0 109.052 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.722 HD21 ' HG3' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.14 -3.26 54.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.866 -175.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 451' ' ' ARG . 38.0 ttp180 -83.19 -47.45 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.108 0.48 . . . . 15.0 110.06 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.9 p -105.61 -6.01 19.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.293 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.68 27.96 7.47 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.562 -0.745 . . . . 15.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.4 pt-20 -100.87 150.2 23.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.664 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.7 p -89.89 111.87 23.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.6 m -101.24 105.63 16.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.274 0.559 . . . . 15.0 110.863 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -94.95 -12.57 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.385 0.612 . . . . 15.0 110.025 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.73 106.64 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.283 -0.871 . . . . 15.0 108.961 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 116.67 64.77 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.6 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.794 2.33 . . . . 15.0 111.24 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.94 0.4 . . . . 15.0 110.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -99.14 114.88 27.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.39 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.744 HG22 ' HG3' ' A' ' 438' ' ' ARG . 53.5 m -96.6 119.87 35.86 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.248 173.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -90.03 109.33 20.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.312 -0.996 . . . . 15.0 108.312 174.394 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.744 ' HG3' HG22 ' A' ' 436' ' ' THR . 16.6 mtp180 -101.76 97.28 7.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.279 0.562 . . . . 15.0 110.542 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.26 101.74 14.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.575 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.84 147.2 23.92 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.904 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.22 -7.23 1.8 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.061 0.763 . . . . 15.0 113.061 -172.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.18 -10.03 51.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.439 0.637 . . . . 15.0 109.965 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 31.22 11.02 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.515 -0.766 . . . . 15.0 112.321 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.51 ' HD2' ' CH2' ' A' ' 457' ' ' TRP . 9.9 pttm -140.18 127.64 21.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 15.0 111.413 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 17.0 m -105.45 144.73 31.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.036 -0.984 . . . . 15.0 109.719 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -146.06 139.09 25.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.6 m-85 -89.75 109.17 20.18 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -89.37 121.36 31.54 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.555 HD22 ' N ' ' A' ' 449' ' ' ASN . 0.7 OUTLIER -89.9 115.16 27.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.043 -0.98 . . . . 15.0 109.382 -178.245 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -76.26 -20.31 57.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 15.0 110.854 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -84.87 -26.08 27.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.564 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.8 p -120.02 -2.73 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.126 0.417 . . . . 15.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 59.72 37.02 22.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.36 0.412 . . . . 15.0 111.474 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 449' ' ' ASN . 11.6 pt-20 -118.62 150.29 39.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.682 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -99.35 105.59 17.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 170.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.9 m -89.92 115.97 27.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.698 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 444' ' ' LYS . 72.5 m95 -99.67 -2.26 35.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.565 0.698 . . . . 15.0 110.024 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 7.3 mm-40 -81.59 120.43 25.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.744 -1.116 . . . . 15.0 108.693 174.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 459' ' ' LYS . 8.3 tmtm? -78.51 117.06 64.17 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.837 0.351 . . . . 15.0 110.799 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 73.9 Cg_endo . . . . . 0 C--O 1.246 0.899 0 C-N-CA 123.044 2.496 . . . . 15.0 111.348 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.979 0.419 . . . . 15.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -101.52 107.14 18.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.736 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -89.97 123.22 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 15.0 110.602 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 447' ' ' TYR . 7.5 pt-20 -90.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.445 176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 445' ' ' THR . 35.7 mtp180 -93.67 101.64 13.79 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 119.973 -0.691 . . . . 15.0 109.673 -172.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.864 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.0 100.44 13.26 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.163 -176.573 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.6 p -89.76 150.12 22.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.778 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.04 4.08 2.33 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.356 0.873 . . . . 15.0 113.356 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.68 -10.07 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.779 0.799 . . . . 15.0 109.036 171.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 32.37 9.69 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.654 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -136.11 117.58 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.558 0.694 . . . . 15.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 34.1 m -100.04 146.21 27.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.113 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.493 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 25.5 p90 -146.49 145.3 30.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.837 -0.345 . . . . 15.0 110.121 -177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.2 m-85 -91.9 108.48 19.95 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.475 0.655 . . . . 15.0 111.136 -175.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.92 114.58 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.863 -1.062 . . . . 15.0 108.66 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.488 HD21 ' HB2' ' A' ' 451' ' ' ARG . 45.1 t30 -118.97 144.73 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.405 -176.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.3 7.91 25.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.023 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB2' HD21 ' A' ' 449' ' ' ASN . 33.9 mmt180 -61.75 -48.61 79.89 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.818 -0.353 . . . . 15.0 110.722 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 73.1 p -120.03 0.38 10.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.052 168.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 452' ' ' THR . . . 76.9 43.59 0.12 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.868 0.867 . . . . 15.0 109.846 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -100.66 145.99 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.323 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.7 p -98.18 112.43 24.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.618 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 29.1 m -101.63 124.22 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.062 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -112.53 -1.83 14.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.27 0.557 . . . . 15.0 110.308 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 33.7 tt0 -86.1 136.33 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.429 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.602 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 54.9 tptt -87.48 115.05 61.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.743 0.306 . . . . 15.0 111.372 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.602 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 42.4 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.945 2.43 . . . . 15.0 111.208 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.255 0.55 . . . . 15.0 110.087 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -97.91 129.81 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.439 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.728 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.9 m -89.72 123.41 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.305 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -101.04 108.09 19.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 445' ' ' THR . 40.3 mtt180 -106.14 106.14 16.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.852 -0.739 . . . . 15.0 110.115 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 6.5 ptpt -90.03 97.92 11.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.896 -174.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.1 p -89.58 147.3 24.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.715 -1.13 . . . . 15.0 110.716 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.41 14.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.233 0.827 . . . . 15.0 113.233 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.557 ' HB3' ' HG2' ' A' ' 444' ' ' LYS . 30.6 t70 -84.42 -6.46 59.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.638 0.732 . . . . 15.0 109.541 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 23.12 32.86 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.557 ' HG2' ' HB3' ' A' ' 442' ' ' ASP . 21.9 pttp -139.51 130.95 26.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.207 0.527 . . . . 15.0 110.929 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.5 t -103.34 149.98 24.23 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.421 -0.955 . . . . 15.0 108.421 170.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 19.3 p90 -129.14 134.02 47.87 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 119.566 -0.854 . . . . 15.0 110.533 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.728 ' HA ' ' O ' ' A' ' 436' ' ' THR . 27.6 m-85 -89.94 111.94 23.16 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.102 -0.954 . . . . 15.0 109.659 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.541 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 22.0 t80 -89.68 122.51 32.87 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.879 -0.6 . . . . 15.0 109.54 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.98 116.45 28.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.43 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.7 -13.32 59.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.215 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -84.13 -32.86 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.396 -0.366 . . . . 15.0 111.221 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 p -120.3 -1.9 10.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.413 -0.358 . . . . 15.0 111.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 61.67 32.06 18.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.988 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.88 150.5 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.608 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.1 p -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.123 0.487 . . . . 15.0 109.936 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.0 m -92.73 119.4 32.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 15.0 110.196 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 76.5 m95 -104.74 0.83 28.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.153 0.501 . . . . 15.0 110.865 -177.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 40.1 mt-10 -88.31 139.97 29.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.119 175.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.777 ' HE3' ' HD2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -69.83 110.32 6.34 Favored Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.287 0.367 . . . . 15.0 111.709 -174.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.777 ' HD2' ' HE3' ' A' ' 459' ' ' LYS . 35.6 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.202 2.601 . . . . 15.0 111.561 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.615 ' HB3' HD21 ' A' ' 449' ' ' ASN . 22.8 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 121.039 0.447 . . . . 15.0 111.343 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 50.3 m95 -91.03 100.46 13.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 15.0 110.174 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.0 m -90.15 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 15.0 111.249 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -89.74 119.33 30.04 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 445' ' ' THR . 45.5 mtp180 -98.73 114.17 26.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.122 -0.49 . . . . 15.0 109.783 -175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.765 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.86 90.08 8.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.845 0.831 . . . . 15.0 109.46 -177.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 442' ' ' ASP . 41.9 m -89.87 132.32 35.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.846 -1.07 . . . . 15.0 110.035 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.13 -1.28 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.301 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 440' ' ' THR . 36.1 t70 -78.27 -2.62 38.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.451 0.643 . . . . 15.0 110.349 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 38.8 6.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.862 -0.685 . . . . 15.0 112.585 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -150.08 121.74 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.104 0.478 . . . . 15.0 111.226 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.4 m -106.25 131.08 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 173.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.89 148.22 32.61 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.829 -0.348 . . . . 15.0 110.835 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 20.5 m-85 -89.94 101.97 14.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 15.0 110.88 -175.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -106.13 131.86 52.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.022 -0.535 . . . . 15.0 109.782 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.615 HD21 ' HB3' ' A' ' 434' ' ' GLU . 53.8 t-20 -123.68 129.55 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.834 0.35 . . . . 15.0 110.471 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -6.49 34.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.857 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -55.64 31.21 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.085 0.469 . . . . 15.0 110.702 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -120.14 0.32 10.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.495 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.29 43.05 4.96 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.055 -1.091 . . . . 15.0 108.055 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.12 124.18 34.59 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.122 -1.399 . . . . 15.0 110.122 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.1 p -98.16 102.68 14.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.215 0.531 . . . . 15.0 110.113 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 32.1 m -91.14 109.3 20.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 15.0 110.149 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -103.83 -10.32 18.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 1.8 pm0 -88.94 149.99 23.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.529 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 55.5 tptt -86.83 113.93 55.63 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.632 -0.258 . . . . 15.0 110.675 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.917 2.411 . . . . 15.0 111.284 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.136 0.493 . . . . 15.0 110.646 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 77.1 m95 -126.22 114.2 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.358 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.3 m -89.79 112.78 24.19 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 15.0 110.206 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 124.07 34.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.526 -1.287 . . . . 15.0 107.526 171.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' A' ' 445' ' ' THR . 15.3 mtt180 -112.86 105.08 13.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 120.007 -0.677 . . . . 15.0 110.413 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -89.94 92.56 9.05 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.221 -0.899 . . . . 15.0 109.146 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.4 p -89.88 146.65 24.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.138 -0.937 . . . . 15.0 110.492 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.58 12.76 0.93 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.541 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.409 ' HB3' ' HE2' ' A' ' 444' ' ' LYS . 29.8 t70 -85.54 -3.9 59.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.654 0.74 . . . . 15.0 109.264 175.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 35.7 7.5 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.162 -0.926 . . . . 15.0 112.005 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 442' ' ' ASP . 33.5 pttt -150.11 121.53 7.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.216 0.531 . . . . 15.0 111.407 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.629 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 54.7 m -102.04 127.44 48.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 170.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -129.89 141.01 50.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.871 -0.732 . . . . 15.0 110.9 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.622 ' HA ' ' O ' ' A' ' 436' ' ' THR . 21.2 m-85 -98.2 113.55 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.176 -174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -89.56 126.75 35.73 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.179 0.514 . . . . 15.0 109.667 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.434 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 16.6 t-20 -89.88 113.49 25.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.352 -0.84 . . . . 15.0 110.078 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.88 1.87 54.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.53 -0.305 . . . . 15.0 110.906 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -73.58 -52.19 14.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.831 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.052 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.79 76.34 0.27 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.962 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.98 150.26 31.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.214 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 p -89.91 110.83 21.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.31 0.576 . . . . 15.0 110.2 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -90.33 102.01 14.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.086 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -93.45 3.5 55.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.854 0.835 . . . . 15.0 109.093 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 28.1 mt-10 -87.73 134.79 33.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.763 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -72.05 113.21 18.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.732 0.301 . . . . 15.0 111.15 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 71.9 Cg_endo . . . . . 0 C--O 1.246 0.925 0 C-N-CA 122.991 2.46 . . . . 15.0 111.625 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' HD21 ' A' ' 449' ' ' ASN . 10.4 tp10 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.243 0.544 . . . . 15.0 110.398 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.591 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 64.4 m95 -99.86 126.93 46.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.357 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.5 m -89.95 125.64 35.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 15.0 111.193 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.404 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 13.7 pt-20 -89.75 113.63 25.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' A' ' 445' ' ' THR . 65.0 mtp180 -101.39 105.22 16.23 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.437 -0.505 . . . . 15.0 110.057 -174.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -92.24 89.93 7.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.648 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.0 t -91.07 144.22 25.88 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.027 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.5 -4.37 3.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.76 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.49 -12.59 45.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.494 0.664 . . . . 15.0 109.962 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.3 34.43 8.08 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.288 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.584 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 15.8 pttm -146.27 127.8 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.135 0.493 . . . . 15.0 111.326 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 73.5 m -108.89 126.25 52.86 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 12.0 p90 -136.82 144.14 43.51 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 120.508 -0.477 . . . . 15.0 110.236 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 436' ' ' THR . 30.1 m-85 -90.56 89.72 7.68 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.4 0.619 . . . . 15.0 109.941 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 3.9 t80 -94.09 128.51 40.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.433 -0.803 . . . . 15.0 109.195 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.784 HD21 ' HG3' ' A' ' 434' ' ' GLU . 38.6 t-20 -127.13 134.13 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.936 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -67.51 -21.52 65.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.099 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -71.1 -19.81 62.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.389 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.7 p -120.05 -10.03 9.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.922 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 55.4 28.6 11.75 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.065 0.46 . . . . 15.0 110.465 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -137.79 150.17 46.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.21 -170.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 10.2 p -95.49 119.31 33.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 15.0 111.031 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 32.0 m -95.93 128.42 42.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.978 -0.555 . . . . 15.0 109.953 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.584 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 72.1 m95 -102.51 -22.3 14.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.267 0.556 . . . . 15.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.01 130.41 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 15.0 110.492 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -74.15 113.34 22.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.257 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.768 2.312 . . . . 15.0 111.906 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.491 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 1.7 mp0 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.987 0.422 . . . . 15.0 111.036 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 103.81 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.277 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -95.81 122.21 38.36 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.075 -0.25 . . . . 15.0 111.002 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -89.78 108.61 19.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 436' ' ' THR . 68.9 mtp180 -95.74 101.46 13.15 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.056 -173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -89.83 96.02 10.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.485 -0.779 . . . . 15.0 109.698 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.6 p -89.71 148.0 23.53 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.249 -0.887 . . . . 15.0 111.497 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.31 -2.49 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.605 -0.725 . . . . 15.0 111.452 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.29 -8.1 36.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.717 0.77 . . . . 15.0 109.651 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 26.42 24.26 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.434 -0.803 . . . . 15.0 111.994 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -149.04 134.29 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.382 0.611 . . . . 15.0 111.332 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -107.53 145.41 33.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.147 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.9 p90 -143.61 137.69 28.5 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.077 0.465 . . . . 15.0 110.374 -177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.81 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.4 m-85 -89.73 99.07 12.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.871 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -89.41 111.61 22.53 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.757 -0.831 . . . . 15.0 108.757 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.714 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.0 t30 -95.24 124.94 39.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.84 -1.073 . . . . 15.0 110.757 -176.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.87 -15.08 59.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.568 ' HB2' HD21 ' A' ' 449' ' ' ASN . 32.7 mtp180 -74.65 -36.29 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 15.0 111.736 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 m -120.21 -8.17 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.933 -0.307 . . . . 15.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.18 34.94 13.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.519 0.676 . . . . 15.0 109.675 -171.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.714 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -103.72 150.26 24.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.083 -0.962 . . . . 15.0 110.481 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.8 t -101.54 107.91 19.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.442 0.639 . . . . 15.0 109.767 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.81 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 53.3 m -89.97 121.18 31.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.994 -1.003 . . . . 15.0 110.007 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 97.8 m95 -106.78 0.19 23.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.951 0.405 . . . . 15.0 111.273 -175.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.98 135.03 50.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.687 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -74.03 116.67 54.65 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.631 -0.507 . . . . 15.0 109.631 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 122.509 2.139 . . . . 15.0 111.909 -179.37 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.828 0.347 . . . . 15.0 110.936 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -94.74 107.87 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.43 -0.581 . . . . 15.0 109.43 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.6 m -89.81 127.35 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.308 -0.405 . . . . 15.0 111.533 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.9 114.19 25.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.511 -0.922 . . . . 15.0 108.511 173.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.609 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.9 mtp180 -102.16 108.9 20.44 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.357 -0.608 . . . . 15.0 109.357 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.754 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.87 95.14 10.1 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 122.135 0.969 . . . . 15.0 110.099 -176.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.58 HG22 ' H ' ' A' ' 442' ' ' ASP . 99.0 m -89.77 132.08 35.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.136 -1.393 . . . . 15.0 110.311 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.04 0.88 3.13 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.58 ' H ' HG22 ' A' ' 440' ' ' THR . 18.1 t70 -76.43 -5.52 47.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 15.0 110.199 176.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 36.26 7.3 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.678 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -145.07 113.44 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.291 0.567 . . . . 15.0 111.571 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.8 m -99.83 140.91 33.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 170.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.609 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 7.7 p90 -149.28 145.13 26.91 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.465 -0.494 . . . . 15.0 110.618 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.669 ' HA ' ' O ' ' A' ' 436' ' ' THR . 24.1 m-85 -90.01 96.38 10.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.411 -176.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.82 121.76 32.26 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.307 -0.627 . . . . 15.0 109.307 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 16.3 t-20 -128.5 136.69 51.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.014 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -81.76 -19.75 40.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.765 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -67.01 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.399 0.618 . . . . 15.0 109.604 178.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.517 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 23.7 p -104.05 -25.02 13.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.536 174.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.68 35.26 9.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.217 -0.901 . . . . 15.0 110.593 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 2.4 pp20? -146.83 150.18 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.581 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 m -89.82 119.44 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.24 -0.437 . . . . 15.0 110.469 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.4 m -89.78 124.36 34.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.018 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -102.57 -13.49 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.417 0.627 . . . . 15.0 109.854 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.37 150.01 23.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.033 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -75.4 119.06 75.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.708 0.289 . . . . 15.0 111.042 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--O 1.252 1.206 0 C-N-CA 122.894 2.396 . . . . 15.0 112.036 177.858 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.449 ' HB2' HD21 ' A' ' 450' ' ' ASN . 22.4 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.948 0.404 . . . . 15.0 110.418 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 71.7 m95 -135.05 114.06 12.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.717 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.8 m -90.12 122.78 33.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.33 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 0.3 OUTLIER -90.64 112.64 24.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.734 0.778 . . . . 15.0 109.494 170.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.67 ' O ' ' HA ' ' A' ' 445' ' ' THR . 44.7 mtt180 -94.39 115.63 27.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.518 -0.765 . . . . 15.0 110.715 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -89.72 96.65 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.257 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 68.8 p -90.0 148.71 22.91 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.838 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -72.49 6.31 2.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.289 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.06 -5.68 57.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.902 0.858 . . . . 15.0 108.845 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.3 36.58 8.08 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.906 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -150.11 133.04 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 15.0 111.058 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 10.8 t -108.7 135.73 49.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.494 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -128.31 144.24 51.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.802 -0.359 . . . . 15.0 110.717 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-30 -90.07 102.61 15.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.048 0.451 . . . . 15.0 110.133 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -89.64 123.35 33.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.13 0.491 . . . . 15.0 110.187 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.55 HD21 ' HB2' ' A' ' 451' ' ' ARG . 43.7 t30 -91.67 126.33 36.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.365 -0.834 . . . . 15.0 111.155 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.449 HD21 ' HB2' ' A' ' 434' ' ' GLU . 9.6 p30 -88.07 -9.82 52.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.725 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.55 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.4 mmm180 -68.88 -47.58 65.52 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.843 0.354 . . . . 15.0 111.327 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.798 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.0 -0.09 10.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.148 -178.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.31 53.97 2.69 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.57 0.7 . . . . 15.0 110.18 -174.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.798 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.6 mt-10 -111.52 142.3 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.286 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 p -91.35 101.16 13.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.32 0.581 . . . . 15.0 109.948 171.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 447' ' ' TYR . 63.6 m -89.94 112.84 24.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.455 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -103.95 -0.16 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.998 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.72 123.0 48.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.912 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.82 115.38 12.6 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.694 -175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.803 2.335 . . . . 15.0 111.741 175.238 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.591 0.71 . . . . 15.0 110.464 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 75.6 m95 -103.77 117.98 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.018 -0.537 . . . . 15.0 110.329 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.1 m -90.3 128.67 36.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.025 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.67 108.48 19.7 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 445' ' ' THR . 71.8 mtp180 -89.87 106.06 18.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.452 -172.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -93.07 94.01 8.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.228 -1.351 . . . . 15.0 110.406 -172.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -89.85 145.93 24.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.791 -0.641 . . . . 15.0 110.306 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.79 -4.3 12.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.586 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.37 -8.47 40.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.583 0.706 . . . . 15.0 109.818 173.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 36.57 7.13 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.495 -0.775 . . . . 15.0 112.808 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -150.02 139.34 21.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 15.0 110.924 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 4.6 t -113.51 149.95 33.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.492 -0.558 . . . . 15.0 109.492 174.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -144.45 139.62 28.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.942 -0.392 . . . . 15.0 109.942 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.853 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 12.6 m-85 -89.8 98.69 11.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.52 . . . . 15.0 110.101 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.0 128.07 51.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.68 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 53.3 t-20 -133.12 132.62 41.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.92 -6.79 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.087 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.25 -48.68 65.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.485 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.5 m -119.95 -1.11 10.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.327 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.62 36.15 19.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.525 0.678 . . . . 15.0 109.935 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -104.24 142.09 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.9 -1.045 . . . . 15.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -92.15 114.74 27.36 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.655 -0.702 . . . . 15.0 109.374 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.853 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 m -89.92 115.34 27.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 15.0 110.269 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -109.94 -4.76 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.26 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -93.87 130.93 39.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.901 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -71.69 115.12 34.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.449 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 122.868 2.379 . . . . 15.0 111.603 175.521 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.927 0.394 . . . . 15.0 111.055 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -106.7 111.07 23.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 15.0 109.973 -176.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 44.3 m -95.01 128.86 42.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.083 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 2.5 pt-20 -89.47 115.89 27.24 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 171.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 445' ' ' THR . 18.0 ttt180 -96.23 98.8 10.59 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -89.61 94.0 9.69 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.631 0.729 . . . . 15.0 109.304 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.1 p -89.76 145.52 25.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.811 -1.086 . . . . 15.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.99 3.4 2.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.301 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -5.24 32.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.689 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 25.05 28.14 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.443 -0.798 . . . . 15.0 112.111 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 7.8 pttm -150.08 133.81 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.219 0.533 . . . . 15.0 111.596 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.6 t -109.54 146.32 34.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 169.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.447 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 6.8 p90 -141.23 145.89 36.18 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 120.519 -0.473 . . . . 15.0 110.697 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.1 m-30 -89.64 97.37 11.16 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.075 -0.511 . . . . 15.0 109.894 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -89.64 120.67 31.12 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.15 -0.685 . . . . 15.0 109.15 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.78 HD21 ' HB3' ' A' ' 451' ' ' ARG . 43.2 t30 -95.23 127.07 40.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.01 -175.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.46 -11.47 58.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.342 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.78 ' HB3' HD21 ' A' ' 449' ' ' ASN . 41.3 ttm180 -73.79 -43.23 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.044 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 20.6 p -120.42 -0.09 10.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 15.0 112.05 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.94 43.6 21.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.502 0.667 . . . . 15.0 110.406 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.51 145.29 41.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.601 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 38.5 p -90.21 101.14 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.973 -0.558 . . . . 15.0 109.872 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 87.0 m -89.98 130.63 36.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.955 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.486 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 86.9 m95 -116.05 -3.8 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 15.0 111.102 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.463 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.0 mp0 -101.2 146.06 28.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.433 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -85.49 108.76 17.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.361 -0.607 . . . . 15.0 109.361 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 14.4 Cg_exo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 122.26 1.973 . . . . 15.0 112.159 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 121.053 0.454 . . . . 15.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 55.1 m95 -99.25 123.39 43.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.8 -0.637 . . . . 15.0 110.492 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 92.4 m -94.99 113.38 25.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.926 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -89.99 105.69 17.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 445' ' ' THR . 17.8 ttt180 -96.02 111.91 23.79 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.783 -0.767 . . . . 15.0 110.023 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.796 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.88 97.83 11.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.792 0.806 . . . . 15.0 109.757 -179.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 442' ' ' ASP . 29.5 m -90.04 134.62 34.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.678 -1.147 . . . . 15.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.47 1.29 1.73 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.102 -0.499 . . . . 15.0 112.081 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 440' ' ' THR . 21.1 t70 -80.31 -7.35 59.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.732 . . . . 15.0 110.203 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 39.04 6.21 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.675 -0.693 . . . . 15.0 112.382 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -149.88 130.06 13.63 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.261 0.553 . . . . 15.0 111.236 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 3.3 m -103.85 144.76 31.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.038 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.65 147.19 27.8 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.205 -0.598 . . . . 15.0 111.146 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.8 m-85 -90.11 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.754 -0.657 . . . . 15.0 109.966 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.31 121.1 31.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.925 -0.769 . . . . 15.0 108.925 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.44 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.4 t-20 -89.88 111.43 22.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.917 -174.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -80.08 -18.81 48.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.144 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -89.08 -25.8 21.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.249 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.1 m -118.78 -2.99 10.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.587 -0.279 . . . . 15.0 111.45 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.92 45.24 18.56 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.117 0.484 . . . . 15.0 111.359 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.671 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 pt-20 -132.94 150.13 52.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.705 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -93.55 108.22 19.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.931 0.396 . . . . 15.0 110.375 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 m -94.55 124.41 38.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.57 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -110.85 -5.71 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.15 0.5 . . . . 15.0 110.562 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.48 149.42 26.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.166 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.463 ' HD3' ' HD2' ' A' ' 460' ' ' PRO . 17.1 tppt? -62.68 112.69 7.09 Favored Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.027 0.205 . . . . 15.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.991 2.461 . . . . 15.0 112.422 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.515 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 18.5 tp10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.626 0.727 . . . . 15.0 109.391 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -95.04 101.62 13.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.931 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 91.3 m -89.84 122.22 32.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.506 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 100.07 12.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.786 0.803 . . . . 15.0 108.87 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 16.8 mtp180 -90.22 94.87 9.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.159 -172.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.84 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.71 100.41 13.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.428 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.3 p -89.79 149.89 22.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.68 -1.145 . . . . 15.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.99 -6.76 13.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.43 -12.63 58.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.813 -0.63 . . . . 15.0 110.038 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 36.23 7.26 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.575 -0.739 . . . . 15.0 112.102 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.09 0.472 . . . . 15.0 111.214 -178.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 12.5 t -104.11 146.38 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.162 173.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -148.24 143.26 26.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.811 -0.44 . . . . 15.0 109.811 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -90.11 101.12 13.83 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.392 0.615 . . . . 15.0 109.605 -173.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -89.75 125.6 35.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.404 -0.816 . . . . 15.0 109.81 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.97 117.71 28.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.437 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.74 -12.52 57.48 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.453 -0.499 . . . . 15.0 110.772 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.515 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 57.9 mtp180 -58.15 -57.13 14.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 15.0 111.339 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 p -112.56 -1.45 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.868 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.31 35.51 5.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.599 0.562 . . . . 15.0 111.24 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.01 148.25 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 15.0 110.418 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 t -94.27 121.36 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 15.0 110.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -103.22 116.27 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.744 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.01 -6.8 21.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.707 0.765 . . . . 15.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.16 129.06 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.953 -1.022 . . . . 15.0 109.887 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -76.44 116.35 55.56 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-O 120.749 0.309 . . . . 15.0 110.949 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 123.142 2.562 . . . . 15.0 112.071 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.755 0.312 . . . . 15.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -121.19 109.24 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.332 -173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.1 m -89.93 128.6 36.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.313 177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 12.6 pt-20 -89.79 106.88 18.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.507 -0.923 . . . . 15.0 108.507 174.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 445' ' ' THR . 52.3 mtp180 -96.81 99.32 10.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.434 ' HD3' ' HB ' ' A' ' 445' ' ' THR . 21.7 tptm -89.8 101.53 14.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.361 -175.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.1 p -89.68 149.11 22.92 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.435 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.05 2.79 3.22 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.794 -0.639 . . . . 15.0 112.109 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.36 -6.06 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.699 0.762 . . . . 15.0 109.67 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.24 16.1 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.538 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -142.6 126.86 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.294 0.568 . . . . 15.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.5 t -102.67 147.89 26.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.382 -0.827 . . . . 15.0 109.022 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.496 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 24.8 p90 -142.02 140.55 32.67 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.71 ' HA ' ' O ' ' A' ' 436' ' ' THR . 15.8 m-85 -89.75 99.7 12.65 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.148 0.499 . . . . 15.0 110.292 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.46 125.54 35.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.207 -0.664 . . . . 15.0 109.207 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -117.51 135.36 53.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.178 -0.465 . . . . 15.0 112.059 -173.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -88.89 -14.53 36.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.406 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 451' ' ' ARG . 27.9 mmt180 -70.13 -41.02 74.46 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.867 0.365 . . . . 15.0 111.279 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 p -115.17 -0.39 13.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.679 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.55 30.31 15.12 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.58 -0.736 . . . . 15.0 111.275 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.32 149.87 28.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.074 0.464 . . . . 15.0 111.11 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 p -90.43 105.86 18.1 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.909 -0.774 . . . . 15.0 108.909 168.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.8 m -89.67 111.01 21.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.011 -0.541 . . . . 15.0 111.07 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -97.68 -1.22 44.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.513 0.673 . . . . 15.0 109.431 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mm-40 -78.88 129.07 34.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.635 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.41 108.84 13.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.23 1.954 . . . . 15.0 111.802 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 121.015 0.436 . . . . 15.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 69.4 m95 -91.04 124.63 35.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.617 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -89.8 123.04 33.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.83 0.347 . . . . 15.0 110.235 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.54 97.68 11.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.669 -0.864 . . . . 15.0 108.669 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.8 mtt180 -90.61 102.01 14.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.839 -169.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -94.6 97.92 10.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.907 -1.042 . . . . 15.0 110.146 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.871 -1.059 . . . . 15.0 110.916 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.82 -9.88 23.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.706 -0.679 . . . . 15.0 111.425 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.12 -9.65 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.469 0.652 . . . . 15.0 110.076 175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 40.88 5.66 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.696 -0.684 . . . . 15.0 112.284 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -150.13 134.27 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.065 0.46 . . . . 15.0 110.949 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 94.5 m -112.78 136.1 52.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.677 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -145.39 139.46 26.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.557 0.218 . . . . 15.0 110.728 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.617 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -90.1 96.43 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.261 0.553 . . . . 15.0 110.634 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -95.79 131.71 41.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.068 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.5 t-20 -137.73 133.73 34.48 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.38 -0.79 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.64 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -52.85 -50.84 62.95 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.225 0.536 . . . . 15.0 110.357 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.4 p -119.95 -0.16 10.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.678 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.18 34.06 11.29 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.584 -0.734 . . . . 15.0 110.799 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.93 149.99 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.299 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.5 p -94.33 114.99 27.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.513 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 12.8 m -90.31 115.98 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.806 -176.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -105.17 -25.98 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.527 -0.761 . . . . 15.0 109.866 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.69 131.89 35.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.99 177.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.83 121.33 64.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.54 -0.17 . . . . 15.0 110.54 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.447 2.765 . . . . 15.0 112.753 -179.114 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.409 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 2.7 mp0 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.665 0.269 . . . . 15.0 111.543 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -119.14 103.24 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.391 . . . . 15.0 109.943 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.643 HG22 ' HG3' ' A' ' 438' ' ' ARG . 74.5 m -94.46 109.89 21.73 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.786 -0.366 . . . . 15.0 110.526 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 5.4 pt-20 -89.77 105.08 17.56 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 171.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG22 ' A' ' 436' ' ' THR . 38.7 mtt180 -89.97 116.5 28.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.558 -1.201 . . . . 15.0 110.532 -170.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 439' ' ' LYS . 6.3 mtpm? -89.77 102.43 15.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.796 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.5 p -89.92 149.82 22.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.676 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.72 62.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.22 -13.03 33.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.381 0.61 . . . . 15.0 110.779 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 34.58 8.18 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.483 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.59 135.17 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.985 0.422 . . . . 15.0 110.142 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.605 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.3 t -110.52 147.82 33.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.606 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -142.33 142.4 32.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.776 -0.37 . . . . 15.0 110.76 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.818 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.7 m-85 -89.96 98.51 11.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.75 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -89.93 118.85 29.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -115.7 132.92 56.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.47 -0.787 . . . . 15.0 110.87 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.5 -4.16 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.934 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.409 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 36.4 mmt180 -70.66 -48.92 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.841 0.353 . . . . 15.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -120.08 -1.64 10.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.182 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.15 83.89 0.15 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.829 0.706 . . . . 15.0 110.428 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 149.98 36.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.056 -173.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -116.89 95.25 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.87 0.843 . . . . 15.0 110.158 173.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.818 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 94.4 m -93.07 112.73 24.78 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.979 -1.009 . . . . 15.0 111.227 -174.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.6 -6.07 50.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.95 0.405 . . . . 15.0 111.563 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.38 125.28 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.231 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -76.87 120.19 80.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.908 2.405 . . . . 15.0 112.039 178.392 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.231 0.083 0 N-CA-C 111.706 0.262 . . . . 15.0 111.706 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 12.3 m95 -105.23 112.09 25.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.996 0.427 . . . . 15.0 111.775 -170.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 438' ' ' ARG . 55.3 m -108.77 119.64 40.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.321 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.65 112.4 23.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.993 -0.743 . . . . 15.0 108.993 175.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 445' ' ' THR . 37.8 mtp180 -103.88 107.34 18.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.119 -170.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.748 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.93 92.92 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.181 0.991 . . . . 15.0 110.237 -175.469 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 442' ' ' ASP . 70.0 p -89.85 138.54 31.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.153 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.12 9.9 0.37 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.813 -177.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 440' ' ' THR . 13.9 t70 -79.82 -0.69 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.609 0.718 . . . . 15.0 109.317 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.26 26.95 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.514 -0.766 . . . . 15.0 112.521 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -149.98 129.47 13.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.514 0.673 . . . . 15.0 112.131 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 52.0 m -105.41 134.31 48.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.086 -0.961 . . . . 15.0 108.641 172.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.481 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 19.7 p90 -138.55 147.89 43.59 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.196 -0.602 . . . . 15.0 111.103 -171.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 436' ' ' THR . 18.8 m-85 -91.04 112.63 24.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.047 -176.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -89.76 126.19 35.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 49.7 t-20 -89.74 107.74 19.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.909 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.248 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.91 -28.05 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.504 -0.317 . . . . 15.0 111.143 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -118.73 -8.34 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.903 -0.319 . . . . 15.0 111.411 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.67 22.09 10.5 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.407 0.623 . . . . 15.0 110.453 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.4 pt-20 -99.66 150.22 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.359 -175.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -89.83 114.93 26.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.19 0.519 . . . . 15.0 109.892 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.0 m -99.67 117.44 34.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.195 -174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -109.02 2.78 21.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.371 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.417 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 3.5 pt-20 -99.39 142.53 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 15.0 110.509 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -77.27 117.92 68.51 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.848 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.823 2.349 . . . . 15.0 111.754 174.217 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.716 ' HA ' HD21 ' A' ' 450' ' ' ASN . 4.0 mp0 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 111.743 0.275 . . . . 15.0 111.743 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 37.8 m95 -120.11 107.33 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.112 0.482 . . . . 15.0 111.274 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.712 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 74.5 m -89.91 129.26 36.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.154 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 7.6 pt-20 -89.93 111.5 22.58 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.247 -1.02 . . . . 15.0 108.247 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.601 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 40.2 mtp180 -99.53 114.4 27.38 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 119.636 -0.826 . . . . 15.0 109.357 -174.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -89.72 94.01 9.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.318 -0.856 . . . . 15.0 109.893 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 136.98 32.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.59 -1.186 . . . . 15.0 110.438 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -74.93 4.38 6.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 110.98 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.15 0.39 45.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.461 -0.79 . . . . 15.0 109.612 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.47 34.74 10.06 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.6 -0.727 . . . . 15.0 112.302 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HD3' ' HH2' ' A' ' 457' ' ' TRP . 13.0 ptpt -150.05 123.29 8.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.407 0.622 . . . . 15.0 112.084 -177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 68.0 m -95.29 134.24 38.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.675 171.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.601 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 23.2 p90 -139.62 142.41 37.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 119.839 -0.744 . . . . 15.0 110.737 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.712 ' HA ' ' O ' ' A' ' 436' ' ' THR . 29.7 m-85 -90.09 111.43 22.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.541 -0.754 . . . . 15.0 110.187 -176.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -89.8 122.33 32.77 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.606 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.613 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.8 t-20 -89.64 120.41 30.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.317 -0.856 . . . . 15.0 110.416 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.716 HD21 ' HA ' ' A' ' 434' ' ' GLU . 9.6 p30 -92.7 -5.38 51.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.692 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.613 ' HB2' HD21 ' A' ' 449' ' ' ASN . 3.7 mmp_? -72.45 -53.74 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.419 . . . . 15.0 111.211 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.4 t -120.02 -0.01 10.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.782 -0.644 . . . . 15.0 110.524 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.5 85.06 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.621 0.724 . . . . 15.0 110.593 -174.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.17 142.23 23.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.077 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.6 p -90.05 109.35 20.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.171 0.51 . . . . 15.0 109.78 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 21.3 m -93.59 108.58 20.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.422 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.432 ' HH2' ' HD3' ' A' ' 444' ' ' LYS . 88.3 m95 -106.19 -2.46 22.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.296 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 6.0 pt-20 -90.3 138.64 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.713 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.53 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 57.3 tptt -89.47 113.18 55.6 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.095 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 67.8 Cg_endo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.788 2.325 . . . . 15.0 111.69 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.07 0.462 . . . . 15.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.547 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -91.75 -16.21 27.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.966 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -89.92 120.94 31.58 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.7 -0.481 . . . . 15.0 109.7 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.9 m -91.89 124.91 36.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.365 -0.379 . . . . 15.0 110.708 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 9.1 pt-20 -89.74 113.44 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.185 -1.043 . . . . 15.0 108.185 173.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 445' ' ' THR . 57.7 mtp180 -92.3 111.14 22.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.644 -173.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -89.97 92.08 8.85 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.012 -0.995 . . . . 15.0 110.038 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.1 p -89.99 137.34 32.42 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.475 -0.784 . . . . 15.0 110.508 173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.62 5.0 1.57 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.358 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.24 -5.12 40.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 15.0 110.013 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.2 32.51 9.62 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.393 -0.821 . . . . 15.0 112.638 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.477 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 10.8 pttm -150.12 137.3 19.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.001 0.429 . . . . 15.0 111.375 178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -113.68 144.14 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.938 -0.764 . . . . 15.0 108.938 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.539 ' HB2' ' HB2' ' A' ' 455' ' ' SER . 12.1 p90 -144.69 140.41 28.59 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.83 -0.348 . . . . 15.0 110.665 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 436' ' ' THR . 2.8 m-85 -89.81 92.16 8.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 15.0 110.068 -174.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -91.1 124.97 35.73 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.606 -0.725 . . . . 15.0 110.131 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -136.89 133.16 35.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.736 -0.839 . . . . 15.0 108.736 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -65.78 -14.94 62.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.881 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.52 -39.59 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.454 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 m -112.99 -9.0 13.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.771 -0.649 . . . . 15.0 110.186 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.64 27.17 16.88 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.859 -0.609 . . . . 15.0 110.373 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -135.69 150.19 49.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.434 -0.803 . . . . 15.0 110.782 -170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 446' ' ' TYR . 12.1 p -90.0 115.05 26.99 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.898 -0.592 . . . . 15.0 109.576 174.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 33.4 m -90.0 128.36 36.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.243 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.477 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 37.1 m95 -104.6 -20.96 13.5 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.18 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.14 149.36 48.73 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.464 -0.789 . . . . 15.0 110.439 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.896 ' HE3' ' HA ' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -79.35 113.85 40.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 15.0 111.083 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.447 2.098 . . . . 15.0 111.301 172.597 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.094 0.474 . . . . 15.0 110.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.722 ' HG3' HD21 ' A' ' 450' ' ' ASN . 41.5 tt0 -106.8 -6.38 17.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.324 0.583 . . . . 15.0 110.987 -173.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 13.1 m95 -105.18 113.45 27.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 15.0 111.165 -173.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.621 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.4 m -89.92 130.49 36.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 15.0 110.757 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 3.1 pt-20 -89.85 111.38 22.39 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 170.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -101.42 96.44 7.16 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.804 -0.758 . . . . 15.0 109.308 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 439' ' ' LYS . 34.7 ttmt -98.95 93.98 6.31 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 114.523 -1.217 . . . . 15.0 110.326 -173.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.2 p -89.65 150.04 22.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.547 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -71.24 4.95 2.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.004 -0.543 . . . . 15.0 112.072 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -7.45 56.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.783 0.801 . . . . 15.0 109.214 172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.22 33.8 8.54 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.251 -0.886 . . . . 15.0 112.118 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -135.82 130.59 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.481 . . . . 15.0 110.965 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.1 m -117.89 129.5 55.67 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.819 -0.808 . . . . 15.0 108.819 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -143.91 150.24 38.08 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.513 -0.475 . . . . 15.0 110.871 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.621 ' HA ' ' O ' ' A' ' 436' ' ' THR . 5.0 m-30 -89.77 110.27 21.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.088 -0.505 . . . . 15.0 109.797 -175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -89.92 125.22 35.28 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.832 -0.803 . . . . 15.0 108.832 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.9 t-20 -89.88 107.96 19.42 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.052 -0.721 . . . . 15.0 109.052 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.722 HD21 ' HG3' ' A' ' 434' ' ' GLU . 0.3 OUTLIER -82.14 -3.26 54.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 15.0 111.866 -175.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 451' ' ' ARG . 38.0 ttp180 -83.19 -47.45 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.108 0.48 . . . . 15.0 110.06 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 6.9 p -105.61 -6.01 19.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 15.0 111.293 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.68 27.96 7.47 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.562 -0.745 . . . . 15.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.4 pt-20 -100.87 150.2 23.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 15.0 110.664 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.7 p -89.89 111.87 23.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.6 m -101.24 105.63 16.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.274 0.559 . . . . 15.0 110.863 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -94.95 -12.57 26.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.385 0.612 . . . . 15.0 110.025 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.73 106.64 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.283 -0.871 . . . . 15.0 108.961 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -99.5 116.67 64.77 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 -172.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.6 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.794 2.33 . . . . 15.0 111.24 170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.294 0.569 . . . . 15.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 434' ' ' GLU . 7.1 pt-20 -96.51 -12.51 24.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.611 -0.722 . . . . 15.0 110.465 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -99.14 114.88 27.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.39 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.744 HG22 ' HG3' ' A' ' 438' ' ' ARG . 53.5 m -96.6 119.87 35.86 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.917 -0.313 . . . . 15.0 110.248 173.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -90.03 109.33 20.37 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.312 -0.996 . . . . 15.0 108.312 174.394 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.744 ' HG3' HG22 ' A' ' 436' ' ' THR . 16.6 mtp180 -101.76 97.28 7.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.279 0.562 . . . . 15.0 110.542 -170.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.26 101.74 14.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.049 -0.978 . . . . 15.0 110.575 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.0 t -89.84 147.2 23.92 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.904 173.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.22 -7.23 1.8 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.061 0.763 . . . . 15.0 113.061 -172.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.18 -10.03 51.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.439 0.637 . . . . 15.0 109.965 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 31.22 11.02 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.515 -0.766 . . . . 15.0 112.321 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.51 ' HD2' ' CH2' ' A' ' 457' ' ' TRP . 9.9 pttm -140.18 127.64 21.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 15.0 111.413 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 17.0 m -105.45 144.73 31.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.036 -0.984 . . . . 15.0 109.719 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -146.06 139.09 25.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.858 -0.423 . . . . 15.0 109.858 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 436' ' ' THR . 16.6 m-85 -89.75 109.17 20.18 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -89.37 121.36 31.54 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.352 -0.61 . . . . 15.0 109.352 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.555 HD22 ' N ' ' A' ' 449' ' ' ASN . 0.7 OUTLIER -89.9 115.16 27.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.043 -0.98 . . . . 15.0 109.382 -178.245 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -76.26 -20.31 57.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 15.0 110.854 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -84.87 -26.08 27.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 15.0 111.564 -176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.8 p -120.02 -2.73 10.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.126 0.417 . . . . 15.0 112.126 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 59.72 37.02 22.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.36 0.412 . . . . 15.0 111.474 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 449' ' ' ASN . 11.6 pt-20 -118.62 150.29 39.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.682 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -99.35 105.59 17.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.958 -0.756 . . . . 15.0 108.958 170.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.9 m -89.92 115.97 27.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.923 -0.58 . . . . 15.0 110.698 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 444' ' ' LYS . 72.5 m95 -99.67 -2.26 35.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.565 0.698 . . . . 15.0 110.024 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 7.3 mm-40 -81.59 120.43 25.05 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.744 -1.116 . . . . 15.0 108.693 174.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 459' ' ' LYS . 8.3 tmtm? -78.51 117.06 64.17 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 120.837 0.351 . . . . 15.0 110.799 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 73.9 Cg_endo . . . . . 0 C--O 1.246 0.899 0 C-N-CA 123.044 2.496 . . . . 15.0 111.348 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 110.072 -0.344 . . . . 15.0 110.072 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -82.8 -11.57 58.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 15.0 110.89 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -101.52 107.14 18.34 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.736 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -89.97 123.22 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.882 0.372 . . . . 15.0 110.602 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 447' ' ' TYR . 7.5 pt-20 -90.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.801 -0.636 . . . . 15.0 109.445 176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 445' ' ' THR . 35.7 mtp180 -93.67 101.64 13.79 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 119.973 -0.691 . . . . 15.0 109.673 -172.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.864 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -90.0 100.44 13.26 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.163 -176.573 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.6 p -89.76 150.12 22.43 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.778 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.04 4.08 2.33 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.356 0.873 . . . . 15.0 113.356 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.68 -10.07 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.779 0.799 . . . . 15.0 109.036 171.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.29 32.37 9.69 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.328 -0.851 . . . . 15.0 111.654 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -136.11 117.58 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.558 0.694 . . . . 15.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 34.1 m -100.04 146.21 27.02 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.113 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.493 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 25.5 p90 -146.49 145.3 30.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.837 -0.345 . . . . 15.0 110.121 -177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 436' ' ' THR . 37.2 m-85 -91.9 108.48 19.95 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.475 0.655 . . . . 15.0 111.136 -175.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -89.92 114.58 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.863 -1.062 . . . . 15.0 108.66 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.488 HD21 ' HB2' ' A' ' 451' ' ' ARG . 45.1 t30 -118.97 144.73 46.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.405 -176.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.3 7.91 25.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.023 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB2' HD21 ' A' ' 449' ' ' ASN . 33.9 mmt180 -61.75 -48.61 79.89 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.818 -0.353 . . . . 15.0 110.722 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 73.1 p -120.03 0.38 10.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.052 168.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 452' ' ' THR . . . 76.9 43.59 0.12 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.868 0.867 . . . . 15.0 109.846 -174.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -100.66 145.99 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.061 -0.972 . . . . 15.0 111.323 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.7 p -98.18 112.43 24.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.618 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 29.1 m -101.63 124.22 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.062 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -112.53 -1.83 14.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.27 0.557 . . . . 15.0 110.308 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 33.7 tt0 -86.1 136.33 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.337 -0.847 . . . . 15.0 109.429 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.602 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 54.9 tptt -87.48 115.05 61.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-O 120.743 0.306 . . . . 15.0 111.372 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.602 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 42.4 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.945 2.43 . . . . 15.0 111.208 172.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.842 0.353 . . . . 15.0 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -105.55 9.84 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.255 0.55 . . . . 15.0 110.087 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -97.91 129.81 44.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.243 -0.889 . . . . 15.0 110.439 -177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.728 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.9 m -89.72 123.41 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.305 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -101.04 108.09 19.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 445' ' ' THR . 40.3 mtt180 -106.14 106.14 16.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 C-N-CA 119.852 -0.739 . . . . 15.0 110.115 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.46 ' H ' ' HG2' ' A' ' 439' ' ' LYS . 6.5 ptpt -90.03 97.92 11.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.896 -174.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.1 p -89.58 147.3 24.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.715 -1.13 . . . . 15.0 110.716 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.41 14.2 0.1 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.233 0.827 . . . . 15.0 113.233 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.557 ' HB3' ' HG2' ' A' ' 444' ' ' LYS . 30.6 t70 -84.42 -6.46 59.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.638 0.732 . . . . 15.0 109.541 174.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 23.12 32.86 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.557 ' HG2' ' HB3' ' A' ' 442' ' ' ASP . 21.9 pttp -139.51 130.95 26.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.207 0.527 . . . . 15.0 110.929 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.5 t -103.34 149.98 24.23 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.421 -0.955 . . . . 15.0 108.421 170.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.52 ' HB3' ' CH2' ' A' ' 457' ' ' TRP . 19.3 p90 -129.14 134.02 47.87 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 119.566 -0.854 . . . . 15.0 110.533 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.728 ' HA ' ' O ' ' A' ' 436' ' ' THR . 27.6 m-85 -89.94 111.94 23.16 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.102 -0.954 . . . . 15.0 109.659 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.541 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 22.0 t80 -89.68 122.51 32.87 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.879 -0.6 . . . . 15.0 109.54 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -89.98 116.45 28.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.43 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.7 -13.32 59.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.215 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -84.13 -32.86 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.396 -0.366 . . . . 15.0 111.221 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 3.3 p -120.3 -1.9 10.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.413 -0.358 . . . . 15.0 111.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 61.67 32.06 18.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.988 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.88 150.5 33.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.608 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.1 p -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.123 0.487 . . . . 15.0 109.936 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.0 m -92.73 119.4 32.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.635 -0.711 . . . . 15.0 110.196 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 446' ' ' TYR . 76.5 m95 -104.74 0.83 28.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.153 0.501 . . . . 15.0 110.865 -177.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 40.1 mt-10 -88.31 139.97 29.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.547 -0.751 . . . . 15.0 109.119 175.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.777 ' HE3' ' HD2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -69.83 110.32 6.34 Favored Pre-proline 0 CA--C 1.535 0.396 0 O-C-N 123.287 0.367 . . . . 15.0 111.709 -174.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.777 ' HD2' ' HE3' ' A' ' 459' ' ' LYS . 35.6 Cg_endo . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.202 2.601 . . . . 15.0 111.561 171.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 110.002 -0.37 . . . . 15.0 110.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.615 ' HB3' HD21 ' A' ' 449' ' ' ASN . 22.8 mt-10 -71.66 -33.11 68.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.039 0.447 . . . . 15.0 111.343 -175.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.506 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 50.3 m95 -91.03 100.46 13.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 15.0 110.174 -175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.684 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.0 m -90.15 136.83 32.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 15.0 111.249 -176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -89.74 119.33 30.04 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 445' ' ' THR . 45.5 mtp180 -98.73 114.17 26.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.122 -0.49 . . . . 15.0 109.783 -175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.765 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.86 90.08 8.02 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.845 0.831 . . . . 15.0 109.46 -177.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.531 HG22 ' H ' ' A' ' 442' ' ' ASP . 41.9 m -89.87 132.32 35.34 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.846 -1.07 . . . . 15.0 110.035 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.13 -1.28 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.301 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 440' ' ' THR . 36.1 t70 -78.27 -2.62 38.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.451 0.643 . . . . 15.0 110.349 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 38.8 6.3 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.862 -0.685 . . . . 15.0 112.585 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -150.08 121.74 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.104 0.478 . . . . 15.0 111.226 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 6.4 m -106.25 131.08 53.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 173.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.89 148.22 32.61 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.829 -0.348 . . . . 15.0 110.835 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 436' ' ' THR . 20.5 m-85 -89.94 101.97 14.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 15.0 110.88 -175.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -106.13 131.86 52.89 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.022 -0.535 . . . . 15.0 109.782 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.615 HD21 ' HB3' ' A' ' 434' ' ' GLU . 53.8 t-20 -123.68 129.55 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.834 0.35 . . . . 15.0 110.471 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -6.49 34.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.73 -0.668 . . . . 15.0 111.857 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -55.64 31.21 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.085 0.469 . . . . 15.0 110.702 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -120.14 0.32 10.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.495 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.29 43.05 4.96 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 108.055 -1.091 . . . . 15.0 108.055 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.12 124.18 34.59 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.122 -1.399 . . . . 15.0 110.122 -172.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.1 p -98.16 102.68 14.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.215 0.531 . . . . 15.0 110.113 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.672 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 32.1 m -91.14 109.3 20.55 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 15.0 110.149 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -103.83 -10.32 18.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 1.8 pm0 -88.94 149.99 23.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.529 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 55.5 tptt -86.83 113.93 55.63 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.632 -0.258 . . . . 15.0 110.675 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 0.983 0 C-N-CA 122.917 2.411 . . . . 15.0 111.284 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 121.027 0.442 . . . . 15.0 110.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -104.14 -6.23 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.646 -174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.434 ' HZ3' HD22 ' A' ' 449' ' ' ASN . 77.1 m95 -126.22 114.2 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.358 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 41.3 m -89.79 112.78 24.19 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.782 -0.367 . . . . 15.0 110.206 175.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.76 124.07 34.31 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.526 -1.287 . . . . 15.0 107.526 171.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' A' ' 445' ' ' THR . 15.3 mtt180 -112.86 105.08 13.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 120.007 -0.677 . . . . 15.0 110.413 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -89.94 92.56 9.05 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.221 -0.899 . . . . 15.0 109.146 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 81.4 p -89.88 146.65 24.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.138 -0.937 . . . . 15.0 110.492 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -75.58 12.76 0.93 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.541 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.409 ' HB3' ' HE2' ' A' ' 444' ' ' LYS . 29.8 t70 -85.54 -3.9 59.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.654 0.74 . . . . 15.0 109.264 175.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 35.7 7.5 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.162 -0.926 . . . . 15.0 112.005 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 442' ' ' ASP . 33.5 pttt -150.11 121.53 7.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.216 0.531 . . . . 15.0 111.407 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.629 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 54.7 m -102.04 127.44 48.92 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 170.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -129.89 141.01 50.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.871 -0.732 . . . . 15.0 110.9 -176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.622 ' HA ' ' O ' ' A' ' 436' ' ' THR . 21.2 m-85 -98.2 113.55 25.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.176 -174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -89.56 126.75 35.73 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.179 0.514 . . . . 15.0 109.667 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.434 HD22 ' HZ3' ' A' ' 435' ' ' TRP . 16.6 t-20 -89.88 113.49 25.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.352 -0.84 . . . . 15.0 110.078 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.88 1.87 54.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.53 -0.305 . . . . 15.0 110.906 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -73.58 -52.19 14.31 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.831 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.7 p -119.04 0.06 11.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.189 -0.46 . . . . 15.0 111.052 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 67.79 76.34 0.27 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.563 -0.744 . . . . 15.0 110.962 -177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.98 150.26 31.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.214 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.0 p -89.91 110.83 21.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.31 0.576 . . . . 15.0 110.2 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -90.33 102.01 14.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.571 -0.74 . . . . 15.0 111.086 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -93.45 3.5 55.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.854 0.835 . . . . 15.0 109.093 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 28.1 mt-10 -87.73 134.79 33.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.414 -1.266 . . . . 15.0 109.763 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -72.05 113.21 18.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.732 0.301 . . . . 15.0 111.15 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 71.9 Cg_endo . . . . . 0 C--O 1.246 0.925 0 C-N-CA 122.991 2.46 . . . . 15.0 111.625 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 121.014 0.435 . . . . 15.0 110.258 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' HD21 ' A' ' 449' ' ' ASN . 10.4 tp10 -86.14 -30.53 22.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.243 0.544 . . . . 15.0 110.398 -175.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.591 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 64.4 m95 -99.86 126.93 46.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.646 -0.706 . . . . 15.0 110.357 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 52.5 m -89.95 125.64 35.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 15.0 111.193 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.404 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 13.7 pt-20 -89.75 113.63 25.18 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' A' ' 445' ' ' THR . 65.0 mtp180 -101.39 105.22 16.23 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.437 -0.505 . . . . 15.0 110.057 -174.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -92.24 89.93 7.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.247 -0.888 . . . . 15.0 109.648 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 4.0 t -91.07 144.22 25.88 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.027 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.5 -4.37 3.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.383 -0.826 . . . . 15.0 111.76 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.49 -12.59 45.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.494 0.664 . . . . 15.0 109.962 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.3 34.43 8.08 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.451 -0.795 . . . . 15.0 112.288 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.584 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 15.8 pttm -146.27 127.8 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.135 0.493 . . . . 15.0 111.326 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 73.5 m -108.89 126.25 52.86 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 12.0 p90 -136.82 144.14 43.51 Favored 'General case' 0 CA--C 1.51 -0.588 0 C-N-CA 120.508 -0.477 . . . . 15.0 110.236 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 436' ' ' THR . 30.1 m-85 -90.56 89.72 7.68 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.4 0.619 . . . . 15.0 109.941 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 455' ' ' SER . 3.9 t80 -94.09 128.51 40.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.433 -0.803 . . . . 15.0 109.195 -178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.784 HD21 ' HG3' ' A' ' 434' ' ' GLU . 38.6 t-20 -127.13 134.13 50.25 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.936 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -67.51 -21.52 65.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.099 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -71.1 -19.81 62.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.389 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 10.7 p -120.05 -10.03 9.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.922 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 55.4 28.6 11.75 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.065 0.46 . . . . 15.0 110.465 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -137.79 150.17 46.99 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.969 -0.56 . . . . 15.0 111.21 -170.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 448' ' ' TYR . 10.2 p -95.49 119.31 33.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 15.0 111.031 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 32.0 m -95.93 128.42 42.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.978 -0.555 . . . . 15.0 109.953 175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.584 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 72.1 m95 -102.51 -22.3 14.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.267 0.556 . . . . 15.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.01 130.41 44.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.029 -0.987 . . . . 15.0 110.492 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -74.15 113.34 22.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.257 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.768 2.312 . . . . 15.0 111.906 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.89 0.376 . . . . 15.0 110.086 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.491 ' OE2' ' HD2' ' A' ' 451' ' ' ARG . 1.7 mp0 -83.46 3.06 33.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 15.0 111.036 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -101.59 103.81 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.277 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.2 m -95.81 122.21 38.36 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.075 -0.25 . . . . 15.0 111.002 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -89.78 108.61 19.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.074 -0.713 . . . . 15.0 109.074 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.561 ' HG3' HG22 ' A' ' 436' ' ' THR . 68.9 mtp180 -95.74 101.46 13.15 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.056 -173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -89.83 96.02 10.5 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.485 -0.779 . . . . 15.0 109.698 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 44.6 p -89.71 148.0 23.53 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.249 -0.887 . . . . 15.0 111.497 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.31 -2.49 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.605 -0.725 . . . . 15.0 111.452 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.29 -8.1 36.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.717 0.77 . . . . 15.0 109.651 173.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.98 26.42 24.26 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.434 -0.803 . . . . 15.0 111.994 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -149.04 134.29 18.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.382 0.611 . . . . 15.0 111.332 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.0 t -107.53 145.41 33.19 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.147 172.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.9 p90 -143.61 137.69 28.5 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.077 0.465 . . . . 15.0 110.374 -177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.81 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.4 m-85 -89.73 99.07 12.15 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.605 -0.725 . . . . 15.0 109.871 -175.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -89.41 111.61 22.53 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.757 -0.831 . . . . 15.0 108.757 -177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.714 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 27.0 t30 -95.24 124.94 39.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.84 -1.073 . . . . 15.0 110.757 -176.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -77.87 -15.08 59.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.568 ' HB2' HD21 ' A' ' 449' ' ' ASN . 32.7 mtp180 -74.65 -36.29 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 15.0 111.736 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 m -120.21 -8.17 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.933 -0.307 . . . . 15.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.18 34.94 13.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.519 0.676 . . . . 15.0 109.675 -171.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.714 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 13.7 pt-20 -103.72 150.26 24.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.083 -0.962 . . . . 15.0 110.481 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.8 t -101.54 107.91 19.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.442 0.639 . . . . 15.0 109.767 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.81 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 53.3 m -89.97 121.18 31.83 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.994 -1.003 . . . . 15.0 110.007 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.424 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 97.8 m95 -106.78 0.19 23.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.951 0.405 . . . . 15.0 111.273 -175.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.98 135.03 50.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.984 -0.553 . . . . 15.0 109.687 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -74.03 116.67 54.65 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.631 -0.507 . . . . 15.0 109.631 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 122.509 2.139 . . . . 15.0 111.909 -179.37 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.896 0.379 . . . . 15.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.571 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.7 OUTLIER -79.15 -21.3 46.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.936 -179.148 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -94.74 107.87 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.43 -0.581 . . . . 15.0 109.43 177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.6 m -89.81 127.35 35.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.308 -0.405 . . . . 15.0 111.533 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.9 114.19 25.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.511 -0.922 . . . . 15.0 108.511 173.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.609 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.9 mtp180 -102.16 108.9 20.44 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.357 -0.608 . . . . 15.0 109.357 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.754 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.87 95.14 10.1 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 122.135 0.969 . . . . 15.0 110.099 -176.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.58 HG22 ' H ' ' A' ' 442' ' ' ASP . 99.0 m -89.77 132.08 35.4 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.136 -1.393 . . . . 15.0 110.311 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.04 0.88 3.13 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.58 ' H ' HG22 ' A' ' 440' ' ' THR . 18.1 t70 -76.43 -5.52 47.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.53 0.681 . . . . 15.0 110.199 176.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 36.26 7.3 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.726 -0.67 . . . . 15.0 111.678 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -145.07 113.44 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.291 0.567 . . . . 15.0 111.571 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.8 m -99.83 140.91 33.36 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.587 -0.894 . . . . 15.0 108.587 170.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.609 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 7.7 p90 -149.28 145.13 26.91 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 120.465 -0.494 . . . . 15.0 110.618 -176.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.669 ' HA ' ' O ' ' A' ' 436' ' ' THR . 24.1 m-85 -90.01 96.38 10.65 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.411 -176.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.82 121.76 32.26 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.307 -0.627 . . . . 15.0 109.307 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 451' ' ' ARG . 16.3 t-20 -128.5 136.69 51.14 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.014 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -81.76 -19.75 40.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.765 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 0.0 OUTLIER -67.01 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.399 0.618 . . . . 15.0 109.604 178.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.517 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 23.7 p -104.05 -25.02 13.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.536 174.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.68 35.26 9.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.217 -0.901 . . . . 15.0 110.593 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.517 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 2.4 pp20? -146.83 150.18 34.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.581 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 m -89.82 119.44 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.24 -0.437 . . . . 15.0 110.469 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 11.4 m -89.78 124.36 34.57 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.018 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -102.57 -13.49 17.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.417 0.627 . . . . 15.0 109.854 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.37 150.01 23.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.055 -0.975 . . . . 15.0 110.033 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -75.4 119.06 75.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.708 0.289 . . . . 15.0 111.042 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo . . . . . 0 C--O 1.252 1.206 0 C-N-CA 122.894 2.396 . . . . 15.0 112.036 177.858 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.661 0.267 . . . . 15.0 110.33 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.449 ' HB2' HD21 ' A' ' 450' ' ' ASN . 22.4 mm-40 -97.76 90.88 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.418 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 71.7 m95 -135.05 114.06 12.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.703 -0.68 . . . . 15.0 109.717 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.8 m -90.12 122.78 33.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.33 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 445' ' ' THR . 0.3 OUTLIER -90.64 112.64 24.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.734 0.778 . . . . 15.0 109.494 170.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.67 ' O ' ' HA ' ' A' ' 445' ' ' THR . 44.7 mtt180 -94.39 115.63 27.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.518 -0.765 . . . . 15.0 110.715 -173.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -89.72 96.65 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.257 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 68.8 p -90.0 148.71 22.91 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.48 -0.782 . . . . 15.0 110.838 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -72.49 6.31 2.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.761 -0.654 . . . . 15.0 112.289 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.06 -5.68 57.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.902 0.858 . . . . 15.0 108.845 173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.3 36.58 8.08 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.906 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -150.11 133.04 16.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.131 0.491 . . . . 15.0 111.058 -178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 10.8 t -108.7 135.73 49.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.494 175.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -128.31 144.24 51.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.802 -0.359 . . . . 15.0 110.717 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 8.7 m-30 -90.07 102.61 15.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.048 0.451 . . . . 15.0 110.133 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -89.64 123.35 33.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.13 0.491 . . . . 15.0 110.187 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.55 HD21 ' HB2' ' A' ' 451' ' ' ARG . 43.7 t30 -91.67 126.33 36.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.365 -0.834 . . . . 15.0 111.155 -176.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.449 HD21 ' HB2' ' A' ' 434' ' ' GLU . 9.6 p30 -88.07 -9.82 52.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.725 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.55 ' HB2' HD21 ' A' ' 449' ' ' ASN . 16.4 mmm180 -68.88 -47.58 65.52 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.843 0.354 . . . . 15.0 111.327 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.798 ' HB ' ' HG3' ' A' ' 454' ' ' GLU . 0.2 OUTLIER -120.0 -0.09 10.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.174 -0.467 . . . . 15.0 111.148 -178.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.31 53.97 2.69 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.57 0.7 . . . . 15.0 110.18 -174.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.798 ' HG3' ' HB ' ' A' ' 452' ' ' THR . 32.6 mt-10 -111.52 142.3 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.198 -0.91 . . . . 15.0 110.286 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.5 p -91.35 101.16 13.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.32 0.581 . . . . 15.0 109.948 171.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 447' ' ' TYR . 63.6 m -89.94 112.84 24.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.455 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -103.95 -0.16 29.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.998 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.72 123.0 48.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.06 -0.518 . . . . 15.0 109.912 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.82 115.38 12.6 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.694 -175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.803 2.335 . . . . 15.0 111.741 175.238 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.886 0.374 . . . . 15.0 111.265 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.554 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.4 OUTLIER -88.96 81.31 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.591 0.71 . . . . 15.0 110.464 179.144 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 75.6 m95 -103.77 117.98 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.018 -0.537 . . . . 15.0 110.329 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.1 m -90.3 128.67 36.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.025 177.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.67 108.48 19.7 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 173.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 445' ' ' THR . 71.8 mtp180 -89.87 106.06 18.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.452 -172.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -93.07 94.01 8.63 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.228 -1.351 . . . . 15.0 110.406 -172.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -89.85 145.93 24.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.791 -0.641 . . . . 15.0 110.306 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.79 -4.3 12.09 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.586 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.37 -8.47 40.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.583 0.706 . . . . 15.0 109.818 173.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.02 36.57 7.13 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.495 -0.775 . . . . 15.0 112.808 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -150.02 139.34 21.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 15.0 110.924 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 4.6 t -113.51 149.95 33.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.492 -0.558 . . . . 15.0 109.492 174.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -144.45 139.62 28.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.942 -0.392 . . . . 15.0 109.942 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.853 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 12.6 m-85 -89.8 98.69 11.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.52 . . . . 15.0 110.101 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.0 128.07 51.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.68 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 53.3 t-20 -133.12 132.62 41.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.109 -0.7 . . . . 15.0 109.109 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.92 -6.79 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.376 -0.374 . . . . 15.0 111.087 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -52.25 -48.68 65.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.485 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.5 m -119.95 -1.11 10.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.327 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 60.62 36.15 19.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.525 0.678 . . . . 15.0 109.935 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -104.24 142.09 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.9 -1.045 . . . . 15.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -92.15 114.74 27.36 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.655 -0.702 . . . . 15.0 109.374 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.853 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 9.8 m -89.92 115.34 27.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.881 0.372 . . . . 15.0 110.269 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -109.94 -4.76 15.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.26 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -93.87 130.93 39.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.901 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -71.69 115.12 34.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.449 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.251 1.143 0 C-N-CA 122.868 2.379 . . . . 15.0 111.603 175.521 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.614 0.245 . . . . 15.0 111.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -98.89 -11.75 21.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.927 0.394 . . . . 15.0 111.055 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 41.2 m95 -106.7 111.07 23.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.201 -0.454 . . . . 15.0 109.973 -176.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 44.3 m -95.01 128.86 42.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.083 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 2.5 pt-20 -89.47 115.89 27.24 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 171.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.61 ' O ' ' HA ' ' A' ' 445' ' ' THR . 18.0 ttt180 -96.23 98.8 10.59 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.648 -0.871 . . . . 15.0 108.648 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -89.61 94.0 9.69 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 121.631 0.729 . . . . 15.0 109.304 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 72.1 p -89.76 145.52 25.13 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.811 -1.086 . . . . 15.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -68.99 3.4 2.05 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.301 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.71 -5.24 32.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.689 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.92 25.05 28.14 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.443 -0.798 . . . . 15.0 112.111 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.486 ' HD2' ' HH2' ' A' ' 457' ' ' TRP . 7.8 pttm -150.08 133.81 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.219 0.533 . . . . 15.0 111.596 -179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 9.6 t -109.54 146.32 34.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 15.0 108.402 169.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.447 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 6.8 p90 -141.23 145.89 36.18 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 120.519 -0.473 . . . . 15.0 110.697 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.1 m-30 -89.64 97.37 11.16 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.075 -0.511 . . . . 15.0 109.894 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -89.64 120.67 31.12 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.15 -0.685 . . . . 15.0 109.15 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.78 HD21 ' HB3' ' A' ' 451' ' ' ARG . 43.2 t30 -95.23 127.07 40.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.01 -175.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.46 -11.47 58.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.099 -0.5 . . . . 15.0 110.342 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.78 ' HB3' HD21 ' A' ' 449' ' ' ASN . 41.3 ttm180 -73.79 -43.23 59.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.044 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 20.6 p -120.42 -0.09 10.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 15.0 112.05 -177.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.94 43.6 21.08 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.502 0.667 . . . . 15.0 110.406 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.51 145.29 41.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.601 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 38.5 p -90.21 101.14 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.973 -0.558 . . . . 15.0 109.872 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 87.0 m -89.98 130.63 36.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.955 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.486 ' HH2' ' HD2' ' A' ' 444' ' ' LYS . 86.9 m95 -116.05 -3.8 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.014 0.435 . . . . 15.0 111.102 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.463 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 5.0 mp0 -101.2 146.06 28.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.433 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -85.49 108.76 17.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.361 -0.607 . . . . 15.0 109.361 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 14.4 Cg_exo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 122.26 1.973 . . . . 15.0 112.159 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 121.044 0.45 . . . . 15.0 110.574 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.97 -25.08 63.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.364 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.44 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 55.1 m95 -99.25 123.39 43.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.8 -0.637 . . . . 15.0 110.492 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 92.4 m -94.99 113.38 25.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.926 178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -89.99 105.69 17.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.559 -0.904 . . . . 15.0 108.559 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 445' ' ' THR . 17.8 ttt180 -96.02 111.91 23.79 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.783 -0.767 . . . . 15.0 110.023 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.796 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.88 97.83 11.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.792 0.806 . . . . 15.0 109.757 -179.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 442' ' ' ASP . 29.5 m -90.04 134.62 34.14 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.678 -1.147 . . . . 15.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.47 1.29 1.73 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.102 -0.499 . . . . 15.0 112.081 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.418 ' H ' HG22 ' A' ' 440' ' ' THR . 21.1 t70 -80.31 -7.35 59.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.732 . . . . 15.0 110.203 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.05 39.04 6.21 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.675 -0.693 . . . . 15.0 112.382 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -149.88 130.06 13.63 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.261 0.553 . . . . 15.0 111.236 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 3.3 m -103.85 144.76 31.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.378 -0.828 . . . . 15.0 109.038 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.65 147.19 27.8 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 120.205 -0.598 . . . . 15.0 111.146 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 28.8 m-85 -90.11 109.63 20.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.754 -0.657 . . . . 15.0 109.966 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.31 121.1 31.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.925 -0.769 . . . . 15.0 108.925 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.44 ' CG ' ' HZ3' ' A' ' 435' ' ' TRP . 46.4 t-20 -89.88 111.43 22.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.917 -174.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -80.08 -18.81 48.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.628 -0.714 . . . . 15.0 111.144 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -89.08 -25.8 21.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.249 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 454' ' ' GLU . 2.1 m -118.78 -2.99 10.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.587 -0.279 . . . . 15.0 111.45 -179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 57.92 45.24 18.56 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.117 0.484 . . . . 15.0 111.359 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.671 ' HG2' ' HB ' ' A' ' 452' ' ' THR . 8.6 pt-20 -132.94 150.13 52.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.705 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.7 p -93.55 108.22 19.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.931 0.396 . . . . 15.0 110.375 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.7 m -94.55 124.41 38.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.57 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -110.85 -5.71 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.15 0.5 . . . . 15.0 110.562 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.48 149.42 26.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.166 177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.463 ' HD3' ' HD2' ' A' ' 460' ' ' PRO . 17.1 tppt? -62.68 112.69 7.09 Favored Pre-proline 0 CA--C 1.534 0.363 0 O-C-N 123.027 0.205 . . . . 15.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.463 ' HD2' ' HD3' ' A' ' 459' ' ' LYS . 24.0 Cg_exo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.991 2.461 . . . . 15.0 112.422 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 120.668 0.27 . . . . 15.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.515 ' CD ' ' HG3' ' A' ' 451' ' ' ARG . 18.5 tp10 -90.41 -34.92 15.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 15.0 109.391 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -95.04 101.62 13.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.931 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 91.3 m -89.84 122.22 32.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.506 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 100.07 12.96 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.786 0.803 . . . . 15.0 108.87 173.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 445' ' ' THR . 16.8 mtp180 -90.22 94.87 9.94 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.72 -0.673 . . . . 15.0 110.159 -172.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.84 ' H ' ' HD3' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.71 100.41 13.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.428 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 40.3 p -89.79 149.89 22.5 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.68 -1.145 . . . . 15.0 110.709 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.99 -6.76 13.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.211 -0.45 . . . . 15.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -66.43 -12.63 58.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.813 -0.63 . . . . 15.0 110.038 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 36.23 7.26 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.575 -0.739 . . . . 15.0 112.102 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 123.39 9.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.09 0.472 . . . . 15.0 111.214 -178.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 12.5 t -104.11 146.38 28.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.498 -0.774 . . . . 15.0 109.162 173.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -148.24 143.26 26.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.811 -0.44 . . . . 15.0 109.811 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 3.1 m-85 -90.11 101.12 13.83 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.392 0.615 . . . . 15.0 109.605 -173.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -89.75 125.6 35.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.404 -0.816 . . . . 15.0 109.81 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.97 117.71 28.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.17 -0.923 . . . . 15.0 109.437 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.74 -12.52 57.48 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.453 -0.499 . . . . 15.0 110.772 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.515 ' HG3' ' CD ' ' A' ' 434' ' ' GLU . 57.9 mtp180 -58.15 -57.13 14.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 15.0 111.339 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.2 p -112.56 -1.45 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.868 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.31 35.51 5.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.599 0.562 . . . . 15.0 111.24 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -110.01 148.25 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.528 . . . . 15.0 110.418 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 t -94.27 121.36 35.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 15.0 110.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.0 m -103.22 116.27 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.744 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -103.01 -6.8 21.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.707 0.765 . . . . 15.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -90.16 129.06 36.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.953 -1.022 . . . . 15.0 109.887 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -76.44 116.35 55.56 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-O 120.749 0.309 . . . . 15.0 110.949 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--O 1.247 0.975 0 C-N-CA 123.142 2.562 . . . . 15.0 112.071 -179.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 121.108 0.48 . . . . 15.0 110.113 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.32 -11.05 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 15.0 111.135 -171.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -121.19 109.24 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.332 -173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 21.1 m -89.93 128.6 36.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.286 -0.415 . . . . 15.0 110.313 177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 12.6 pt-20 -89.79 106.88 18.76 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.507 -0.923 . . . . 15.0 108.507 174.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' A' ' 445' ' ' THR . 52.3 mtp180 -96.81 99.32 10.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 -175.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.434 ' HD3' ' HB ' ' A' ' 445' ' ' THR . 21.7 tptm -89.8 101.53 14.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.438 -0.801 . . . . 15.0 110.361 -175.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.1 p -89.68 149.11 22.92 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.435 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.05 2.79 3.22 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.794 -0.639 . . . . 15.0 112.109 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.36 -6.06 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.699 0.762 . . . . 15.0 109.67 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.67 30.24 16.1 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.517 -0.765 . . . . 15.0 111.538 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -142.6 126.86 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.294 0.568 . . . . 15.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.5 t -102.67 147.89 26.26 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.382 -0.827 . . . . 15.0 109.022 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.496 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 24.8 p90 -142.02 140.55 32.67 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.512 -0.551 . . . . 15.0 109.512 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.71 ' HA ' ' O ' ' A' ' 436' ' ' THR . 15.8 m-85 -89.75 99.7 12.65 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.148 0.499 . . . . 15.0 110.292 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.46 125.54 35.22 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.207 -0.664 . . . . 15.0 109.207 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -117.51 135.36 53.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.178 -0.465 . . . . 15.0 112.059 -173.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -88.89 -14.53 36.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.406 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 451' ' ' ARG . 27.9 mmt180 -70.13 -41.02 74.46 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.867 0.365 . . . . 15.0 111.279 -176.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 2.3 p -115.17 -0.39 13.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.679 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 63.55 30.31 15.12 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.58 -0.736 . . . . 15.0 111.275 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.32 149.87 28.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.074 0.464 . . . . 15.0 111.11 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.0 p -90.43 105.86 18.1 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.909 -0.774 . . . . 15.0 108.909 168.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 25.8 m -89.67 111.01 21.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.011 -0.541 . . . . 15.0 111.07 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -97.68 -1.22 44.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.513 0.673 . . . . 15.0 109.431 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mm-40 -78.88 129.07 34.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.635 175.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -82.41 108.84 13.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 458' ' ' GLU . 2.7 Cg_exo . . . . . 0 C--O 1.25 1.103 0 C-N-CA 122.23 1.954 . . . . 15.0 111.802 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 121.095 0.474 . . . . 15.0 110.259 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 0.8 OUTLIER -102.18 -13.57 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.563 . . . . 15.0 110.593 178.198 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 69.4 m95 -91.04 124.63 35.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 177.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.617 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 99.0 m -89.8 123.04 33.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.83 0.347 . . . . 15.0 110.235 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.54 97.68 11.34 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.669 -0.864 . . . . 15.0 108.669 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.567 ' O ' ' HA ' ' A' ' 445' ' ' THR . 98.8 mtt180 -90.61 102.01 14.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.561 -0.745 . . . . 15.0 109.839 -169.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -94.6 97.92 10.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.907 -1.042 . . . . 15.0 110.146 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 150.02 22.4 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.871 -1.059 . . . . 15.0 110.916 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.82 -9.88 23.93 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.706 -0.679 . . . . 15.0 111.425 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.12 -9.65 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.469 0.652 . . . . 15.0 110.076 175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 40.88 5.66 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.696 -0.684 . . . . 15.0 112.284 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -150.13 134.27 17.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.065 0.46 . . . . 15.0 110.949 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 94.5 m -112.78 136.1 52.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.081 -0.963 . . . . 15.0 109.677 175.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -145.39 139.46 26.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.557 0.218 . . . . 15.0 110.728 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.617 ' HA ' ' O ' ' A' ' 436' ' ' THR . 4.6 m-85 -90.1 96.43 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.261 0.553 . . . . 15.0 110.634 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -95.79 131.71 41.79 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.068 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.5 t-20 -137.73 133.73 34.48 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.38 -0.79 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.64 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -52.85 -50.84 62.95 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.225 0.536 . . . . 15.0 110.357 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.4 p -119.95 -0.16 10.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.678 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 64.18 34.06 11.29 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.584 -0.734 . . . . 15.0 110.799 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.93 149.99 29.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.299 -175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.5 p -94.33 114.99 27.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.513 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 12.8 m -90.31 115.98 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.806 -176.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -105.17 -25.98 12.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.527 -0.761 . . . . 15.0 109.866 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.69 131.89 35.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.64 -0.709 . . . . 15.0 109.99 177.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.83 121.33 64.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.54 -0.17 . . . . 15.0 110.54 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.447 2.765 . . . . 15.0 112.753 -179.114 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.175 0.512 . . . . 15.0 110.695 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.409 ' HG3' ' HE ' ' A' ' 451' ' ' ARG . 2.7 mp0 -79.15 -38.93 34.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.543 -175.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -119.14 103.24 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.943 -0.391 . . . . 15.0 109.943 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.643 HG22 ' HG3' ' A' ' 438' ' ' ARG . 74.5 m -94.46 109.89 21.73 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.786 -0.366 . . . . 15.0 110.526 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 447' ' ' TYR . 5.4 pt-20 -89.77 105.08 17.56 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 171.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.643 ' HG3' HG22 ' A' ' 436' ' ' THR . 38.7 mtt180 -89.97 116.5 28.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.558 -1.201 . . . . 15.0 110.532 -170.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 439' ' ' LYS . 6.3 mtpm? -89.77 102.43 15.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.796 -175.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.5 p -89.92 149.82 22.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.738 -0.665 . . . . 15.0 110.676 175.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.53 -19.72 62.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -172.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.22 -13.03 33.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.381 0.61 . . . . 15.0 110.779 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.97 34.58 8.18 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.483 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.59 135.17 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.985 0.422 . . . . 15.0 110.142 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.605 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 11.3 t -110.52 147.82 33.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.606 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -142.33 142.4 32.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.776 -0.37 . . . . 15.0 110.76 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.818 ' HB2' ' HB ' ' A' ' 456' ' ' THR . 2.7 m-85 -89.96 98.51 11.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.75 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -89.93 118.85 29.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 174.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -115.7 132.92 56.49 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.47 -0.787 . . . . 15.0 110.87 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.5 -4.16 45.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.934 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.409 ' HE ' ' HG3' ' A' ' 434' ' ' GLU . 36.4 mmt180 -70.66 -48.92 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.841 0.353 . . . . 15.0 110.861 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.6 p -120.08 -1.64 10.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 15.0 111.182 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 62.15 83.89 0.15 Allowed 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.829 0.706 . . . . 15.0 110.428 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 149.98 36.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.056 -173.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.4 p -116.89 95.25 4.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.87 0.843 . . . . 15.0 110.158 173.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.818 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 94.4 m -93.07 112.73 24.78 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.979 -1.009 . . . . 15.0 111.227 -174.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.6 -6.07 50.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.95 0.405 . . . . 15.0 111.563 -178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.38 125.28 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.231 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -76.87 120.19 80.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.245 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.908 2.405 . . . . 15.0 112.039 178.392 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.274 0.559 . . . . 15.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -90.06 -2.07 58.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.706 -168.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.407 ' HZ3' ' CG ' ' A' ' 449' ' ' ASN . 12.3 m95 -105.23 112.09 25.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.996 0.427 . . . . 15.0 111.775 -170.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 438' ' ' ARG . 55.3 m -108.77 119.64 40.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.321 172.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.65 112.4 23.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.993 -0.743 . . . . 15.0 108.993 175.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 445' ' ' THR . 37.8 mtp180 -103.88 107.34 18.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.119 -170.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.748 ' H ' ' HD2' ' A' ' 439' ' ' LYS . 0.0 OUTLIER -89.93 92.92 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.181 0.991 . . . . 15.0 110.237 -175.469 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 442' ' ' ASP . 70.0 p -89.85 138.54 31.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.119 -0.946 . . . . 15.0 110.153 175.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.12 9.9 0.37 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.799 -0.637 . . . . 15.0 111.813 -177.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 440' ' ' THR . 13.9 t70 -79.82 -0.69 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.609 0.718 . . . . 15.0 109.317 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.19 25.26 26.95 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.514 -0.766 . . . . 15.0 112.521 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -149.98 129.47 13.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.514 0.673 . . . . 15.0 112.131 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 52.0 m -105.41 134.31 48.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.086 -0.961 . . . . 15.0 108.641 172.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.481 ' HE1' ' HD3' ' A' ' 438' ' ' ARG . 19.7 p90 -138.55 147.89 43.59 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 120.196 -0.602 . . . . 15.0 111.103 -171.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 436' ' ' THR . 18.8 m-85 -91.04 112.63 24.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.047 -176.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -89.76 126.19 35.58 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.881 -0.785 . . . . 15.0 108.881 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.557 ' HB3' ' HG2' ' A' ' 454' ' ' GLU . 49.7 t-20 -89.74 107.74 19.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.909 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.248 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.91 -28.05 39.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.504 -0.317 . . . . 15.0 111.143 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 1.3 m -118.73 -8.34 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.903 -0.319 . . . . 15.0 111.411 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.67 22.09 10.5 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.407 0.623 . . . . 15.0 110.453 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 449' ' ' ASN . 16.4 pt-20 -99.66 150.22 22.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.359 -175.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.7 p -89.83 114.93 26.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.19 0.519 . . . . 15.0 109.892 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.0 m -99.67 117.44 34.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.195 -174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -109.02 2.78 21.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.371 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.417 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 3.5 pt-20 -99.39 142.53 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 15.0 110.509 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -77.27 117.92 68.51 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.848 -174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.823 2.349 . . . . 15.0 111.754 174.217 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.655 0.264 . . . . 15.0 111.373 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.716 ' HA ' HD21 ' A' ' 450' ' ' ASN . 4.0 mp0 -100.47 -10.07 21.48 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.743 -174.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.514 ' HZ3' ' HB2' ' A' ' 449' ' ' ASN . 37.8 m95 -120.11 107.33 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.112 0.482 . . . . 15.0 111.274 -172.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.712 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 74.5 m -89.91 129.26 36.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.154 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 437' ' ' GLU . 7.6 pt-20 -89.93 111.5 22.58 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.247 -1.02 . . . . 15.0 108.247 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.601 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 40.2 mtp180 -99.53 114.4 27.38 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 119.636 -0.826 . . . . 15.0 109.357 -174.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -89.72 94.01 9.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.318 -0.856 . . . . 15.0 109.893 -175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 136.98 32.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.59 -1.186 . . . . 15.0 110.438 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -74.93 4.38 6.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.384 0.612 . . . . 15.0 110.98 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -83.15 0.39 45.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.461 -0.79 . . . . 15.0 109.612 175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.47 34.74 10.06 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.6 -0.727 . . . . 15.0 112.302 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' HD3' ' HH2' ' A' ' 457' ' ' TRP . 13.0 ptpt -150.05 123.29 8.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.407 0.622 . . . . 15.0 112.084 -177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 438' ' ' ARG . 68.0 m -95.29 134.24 38.28 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.675 171.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.601 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 23.2 p90 -139.62 142.41 37.05 Favored 'General case' 0 CA--C 1.508 -0.657 0 C-N-CA 119.839 -0.744 . . . . 15.0 110.737 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.712 ' HA ' ' O ' ' A' ' 436' ' ' THR . 29.7 m-85 -90.09 111.43 22.55 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.541 -0.754 . . . . 15.0 110.187 -176.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -89.8 122.33 32.77 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.606 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.613 HD21 ' HB2' ' A' ' 451' ' ' ARG . 10.8 t-20 -89.64 120.41 30.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.317 -0.856 . . . . 15.0 110.416 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.716 HD21 ' HA ' ' A' ' 434' ' ' GLU . 9.6 p30 -92.7 -5.38 51.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.692 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.613 ' HB2' HD21 ' A' ' 449' ' ' ASN . 3.7 mmp_? -72.45 -53.74 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.979 0.419 . . . . 15.0 111.211 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 15.4 t -120.02 -0.01 10.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.782 -0.644 . . . . 15.0 110.524 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . 66.5 85.06 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.621 0.724 . . . . 15.0 110.593 -174.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -150.17 142.23 23.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.077 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.6 p -90.05 109.35 20.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.171 0.51 . . . . 15.0 109.78 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 447' ' ' TYR . 21.3 m -93.59 108.58 20.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.735 -0.666 . . . . 15.0 110.422 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.432 ' HH2' ' HD3' ' A' ' 444' ' ' LYS . 88.3 m95 -106.19 -2.46 22.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.296 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 6.0 pt-20 -90.3 138.64 31.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.442 -0.799 . . . . 15.0 109.713 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.53 ' HD2' ' HD2' ' A' ' 460' ' ' PRO . 57.3 tptt -89.47 113.18 55.6 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.095 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HD2' ' HD2' ' A' ' 459' ' ' LYS . 67.8 Cg_endo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.788 2.325 . . . . 15.0 111.69 176.141 . . . . . . . . 1 1 . 1 stop_ save_