data_2rt9_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 2rt9 _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 ' 570' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -91.34 150.08 40.77 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.403 0.681 . . . . 0.0 112.38 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.71 135.32 25.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.154 2.569 . . . . 0.0 111.316 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 20.9 t -57.08 131.4 80.22 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.632 1.573 . . . . 0.0 111.623 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.05 -8.95 24.87 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.733 2.955 . . . . 0.0 113.516 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.24 -51.34 4.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.836 1.254 . . . . 0.0 113.757 173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.04 -2.16 8.71 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.23 13.6 4.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.622 1.969 . . . . 0.0 114.774 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.7 m -66.27 149.94 97.42 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 124.502 1.121 . . . . 0.0 111.146 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.5 106.53 0.88 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.812 2.341 . . . . 0.0 110.107 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.96 149.84 27.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.791 1.236 . . . . 0.0 111.212 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.28 106.76 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 108.895 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -83.78 134.23 34.74 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.776 0.83 . . . . 0.0 111.054 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.72 70.43 77.11 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.252 1.421 . . . . 0.0 109.652 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.19 -27.62 78.69 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.563 2.842 . . . . 0.0 113.418 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.08 -17.08 63.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.786 1.634 . . . . 0.0 114.045 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.04 2.45 10.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.454 1.901 . . . . 0.0 113.422 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.77 41.56 5.17 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.803 2.041 . . . . 0.0 113.264 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -124.48 151.39 44.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.646 1.578 . . . . 0.0 111.331 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.47 133.48 5.97 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.4 mt -119.54 123.67 44.54 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.486 1.115 . . . . 0.0 112.213 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.7 t -61.11 144.98 52.54 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.31 -12.19 41.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.002 1.321 . . . . 0.0 113.294 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -88.73 119.1 28.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.213 1.405 . . . . 0.0 110.607 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.67 -29.15 68.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -172.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.12 59.08 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.11 -58.43 1.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.461 1.905 . . . . 0.0 111.812 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.1 60.53 6.06 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.28 1.895 . . . . 0.0 114.227 170.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -107.98 153.48 23.02 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.815 1.246 . . . . 0.0 112.376 -169.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -133.1 106.53 7.68 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.795 1.638 . . . . 0.0 109.082 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -127.14 155.05 43.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -168.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.6 124.48 27.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.908 1.683 . . . . 0.0 110.026 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.46 -3.28 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.8 mt -95.82 -37.03 10.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.233 1.013 . . . . 0.0 113.231 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -122.14 -1.57 9.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.3 mt 56.01 31.16 17.47 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.301 1.841 . . . . 0.0 114.3 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.5 m -107.37 173.45 6.32 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.322 1.449 . . . . 0.0 110.285 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.87 40.66 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.958 -0.464 . . . . 0.0 110.947 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -56.63 131.95 50.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.402 1.081 . . . . 0.0 113.337 -169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.818 1.247 . . . . 0.0 114.056 -175.037 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.2 147.56 33.24 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 123.148 0.579 . . . . 0.0 112.047 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.31 137.38 30.91 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.996 2.464 . . . . 0.0 111.213 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.27 131.0 80.84 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.206 1.402 . . . . 0.0 111.701 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.9 -10.4 25.1 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.75 3.633 . . . . 0.0 113.951 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -103.55 -45.13 4.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.909 1.283 . . . . 0.0 113.803 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 11.9 p -131.34 1.73 4.17 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 61.98 11.94 4.56 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.6 1.96 . . . . 0.0 115.417 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.2 t -60.33 142.97 89.9 Favored Pre-proline 0 CA--C 1.542 0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 111.018 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.73 102.5 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.15 2.567 . . . . 0.0 110.079 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.5 41.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 111.55 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.73 106.12 0.64 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.641 1.176 . . . . 0.0 108.623 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -84.4 132.7 34.56 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.896 0.878 . . . . 0.0 110.89 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.29 69.41 60.53 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.921 1.288 . . . . 0.0 109.941 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.44 -26.1 76.39 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.725 2.95 . . . . 0.0 113.877 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -71.13 -20.03 62.37 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.847 1.659 . . . . 0.0 113.901 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.94 -7.82 12.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.212 1.805 . . . . 0.0 113.566 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.8 45.35 28.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.573 1.949 . . . . 0.0 112.683 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -123.11 150.51 43.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.095 1.758 . . . . 0.0 110.71 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.49 4.39 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -116.9 121.59 41.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.28 1.032 . . . . 0.0 112.197 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.68 143.76 40.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.868 0.867 . . . . 0.0 113.209 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.6 t -90.95 -10.45 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.617 1.167 . . . . 0.0 113.381 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.51 118.3 24.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.592 1.157 . . . . 0.0 110.273 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.96 -25.71 64.68 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.39 -11.64 59.93 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.342 1.057 . . . . 0.0 113.788 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.3 t -109.06 -64.27 1.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.812 2.045 . . . . 0.0 111.047 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.98 50.04 56.54 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.097 1.332 . . . . 0.0 113.961 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -96.34 155.3 16.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.266 1.426 . . . . 0.0 112.248 -169.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -129.27 106.15 8.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.786 1.634 . . . . 0.0 110.004 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -128.37 156.26 43.39 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 31.9 t -75.99 124.36 27.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.077 1.751 . . . . 0.0 110.406 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.89 -4.14 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.9 -36.5 10.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.965 0.906 . . . . 0.0 113.12 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.44 -0.08 7.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 90.6 mt 57.84 29.22 17.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.563 1.945 . . . . 0.0 115.303 171.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.15 176.85 4.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.803 1.241 . . . . 0.0 110.258 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.8 134.94 30.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.345 0.658 . . . . 0.0 111.355 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -58.42 131.15 49.84 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.382 1.073 . . . . 0.0 113.066 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 124.937 1.295 . . . . 0.0 114.021 -174.448 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -96.13 152.08 38.63 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.146 0.978 . . . . 0.0 112.365 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.59 134.82 22.95 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.423 2.749 . . . . 0.0 111.431 172.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.03 132.21 83.69 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.867 1.667 . . . . 0.0 111.935 171.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.79 -10.28 28.14 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.949 3.099 . . . . 0.0 113.537 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -92.48 -50.94 5.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.506 1.122 . . . . 0.0 113.673 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.23 -2.26 7.58 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -168.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.89 13.95 4.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.457 1.903 . . . . 0.0 114.619 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 40.3 m -64.89 149.98 95.61 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.903 170.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.73 108.62 1.09 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.794 2.329 . . . . 0.0 110.051 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.6 146.21 28.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.765 1.226 . . . . 0.0 111.128 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.68 107.05 0.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.731 1.212 . . . . 0.0 108.766 172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -85.42 134.41 34.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.876 0.87 . . . . 0.0 111.065 -171.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -128.38 70.13 79.17 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.114 1.366 . . . . 0.0 109.781 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.01 -27.68 79.74 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.551 2.834 . . . . 0.0 113.589 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.29 -18.28 63.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.897 1.679 . . . . 0.0 114.049 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.48 1.81 11.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.575 1.95 . . . . 0.0 113.291 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 44.34 42.1 5.02 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.147 2.179 . . . . 0.0 113.244 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -123.35 151.73 42.22 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.683 1.593 . . . . 0.0 111.101 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.89 133.37 5.84 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.51 122.38 41.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.537 1.135 . . . . 0.0 112.138 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.94 139.22 58.08 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.485 0.66 . . . . 0.0 112.576 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.2 t -81.06 -20.99 40.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.583 1.153 . . . . 0.0 112.848 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -80.94 118.94 22.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.992 1.317 . . . . 0.0 110.968 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.65 -25.39 64.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.0 -10.53 59.49 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.538 1.135 . . . . 0.0 113.809 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 41.2 t -111.89 -59.28 2.01 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.691 1.996 . . . . 0.0 111.48 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.15 53.53 27.06 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.82 1.676 . . . . 0.0 114.268 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -101.28 153.58 19.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.815 1.246 . . . . 0.0 112.222 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -132.35 106.46 7.91 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.606 1.562 . . . . 0.0 109.459 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -128.19 155.08 45.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -168.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.23 125.13 28.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.113 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.05 -5.85 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.77 -38.54 11.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.044 0.938 . . . . 0.0 113.431 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.1 p -120.05 -0.48 10.56 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 55.54 31.61 17.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.4 1.88 . . . . 0.0 114.237 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -110.85 173.85 6.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.366 1.467 . . . . 0.0 110.224 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.79 133.85 36.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.967 0.507 . . . . 0.0 111.082 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -56.69 133.75 54.19 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.347 1.059 . . . . 0.0 113.45 -169.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 CA--C 1.545 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 114.101 -173.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.25 153.13 39.74 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.79 1.236 . . . . 0.0 112.3 173.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -72.68 135.9 24.69 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.455 2.77 . . . . 0.0 111.452 170.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 7.3 t -58.04 133.33 83.87 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.486 1.514 . . . . 0.0 111.922 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.0 -12.07 33.4 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.058 3.172 . . . . 0.0 113.524 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -92.87 -49.67 5.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.565 1.146 . . . . 0.0 113.722 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.59 0.77 4.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -167.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.94 14.01 6.04 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.372 1.869 . . . . 0.0 115.239 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.0 t -59.53 143.52 85.99 Favored Pre-proline 0 CA--C 1.543 0.68 0 O-C-N 121.21 -0.932 . . . . 0.0 111.096 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.76 90.12 0.42 Allowed 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.802 3.002 . . . . 0.0 110.464 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -72.43 148.45 45.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.199 1.8 . . . . 0.0 112.451 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -58.22 104.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.848 1.659 . . . . 0.0 108.999 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.84 130.11 35.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.629 0.772 . . . . 0.0 110.98 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.78 66.1 74.44 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.881 1.272 . . . . 0.0 110.656 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.79 -20.81 64.98 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 124.121 3.214 . . . . 0.0 114.435 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -71.7 -24.0 61.74 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.315 1.446 . . . . 0.0 113.311 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.54 -6.79 17.82 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.504 1.922 . . . . 0.0 113.26 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 52.49 39.2 27.39 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.792 2.037 . . . . 0.0 112.975 -168.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -119.35 149.27 42.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.857 1.663 . . . . 0.0 110.893 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.28 131.71 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.41 123.96 45.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.293 1.037 . . . . 0.0 111.859 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 24.1 t -58.8 140.68 54.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.92 0.867 . . . . 0.0 112.779 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.2 m -87.77 -6.02 58.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.304 1.441 . . . . 0.0 113.226 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -93.97 120.48 34.28 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.749 1.62 . . . . 0.0 110.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.85 -30.33 68.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.87 59.12 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.45 -56.69 3.21 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.267 1.827 . . . . 0.0 111.054 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.36 54.7 22.77 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.734 1.635 . . . . 0.0 113.99 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -102.02 153.95 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.789 1.236 . . . . 0.0 112.109 -169.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -130.96 106.65 8.55 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.614 1.565 . . . . 0.0 109.183 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -126.11 154.43 43.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.7 t -78.14 123.79 27.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.329 1.452 . . . . 0.0 109.48 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.29 -4.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.35 -32.87 11.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.89 1.276 . . . . 0.0 113.296 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.84 -0.03 7.33 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.1 mt 56.34 29.51 15.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.277 1.831 . . . . 0.0 114.602 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 77.8 m -104.2 174.21 5.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.724 1.61 . . . . 0.0 110.376 170.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.35 38.76 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.853 -0.529 . . . . 0.0 110.851 172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -58.88 132.22 53.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.323 1.049 . . . . 0.0 113.036 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 124.699 1.2 . . . . 0.0 114.065 -171.494 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -77.21 149.0 78.82 Favored Pre-proline 0 N--CA 1.472 0.672 0 O-C-N 121.939 -0.476 . . . . 0.0 112.112 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.54 136.86 29.3 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.06 2.507 . . . . 0.0 111.153 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 9.9 t -56.4 131.26 76.3 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.784 1.634 . . . . 0.0 111.676 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.02 -9.21 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.099 3.199 . . . . 0.0 113.465 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -99.71 -46.72 5.33 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.751 1.22 . . . . 0.0 113.786 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.2 p -127.66 -1.37 6.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 61.31 13.39 4.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.281 1.832 . . . . 0.0 114.679 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -65.21 148.37 97.96 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 123.907 0.883 . . . . 0.0 110.687 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.06 113.6 2.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 109.795 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.76 148.92 26.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.576 1.151 . . . . 0.0 111.323 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -63.42 105.69 0.8 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.603 1.161 . . . . 0.0 108.31 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -83.84 133.1 34.76 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.8 0.84 . . . . 0.0 111.006 -172.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.75 69.05 75.8 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.143 1.377 . . . . 0.0 109.865 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.29 -26.84 77.5 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.527 2.818 . . . . 0.0 113.644 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -70.13 -19.56 63.22 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.811 1.644 . . . . 0.0 113.953 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -116.17 1.79 13.23 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.512 1.925 . . . . 0.0 113.268 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.2 mttp 44.4 42.29 5.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.23 2.212 . . . . 0.0 113.377 -169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -123.21 150.47 43.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.763 1.625 . . . . 0.0 111.007 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.55 131.18 5.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -117.47 119.55 35.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.352 1.061 . . . . 0.0 111.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 25.7 t -58.36 135.0 57.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.211 0.604 . . . . 0.0 112.2 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.1 t -82.01 -11.25 58.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.987 0.915 . . . . 0.0 113.207 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -84.93 117.93 24.23 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.982 1.313 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.68 -23.74 64.43 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.4 -9.71 58.81 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.492 1.117 . . . . 0.0 113.874 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.0 t -115.52 -63.93 1.39 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.744 2.018 . . . . 0.0 111.148 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.07 47.77 65.62 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.12 1.343 . . . . 0.0 114.289 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -94.87 150.53 20.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.938 1.295 . . . . 0.0 111.729 -170.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -125.82 106.1 9.43 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.62 1.568 . . . . 0.0 109.915 -172.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -127.83 155.54 43.94 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -168.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.3 t -77.21 124.82 28.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.174 1.789 . . . . 0.0 110.248 170.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.72 -3.34 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 46.9 mt -95.28 -37.6 10.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.049 0.94 . . . . 0.0 113.313 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.6 -4.77 9.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.3 mt 58.69 30.48 20.0 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.022 1.729 . . . . 0.0 114.499 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 95.5 m -106.73 174.28 5.96 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.126 1.37 . . . . 0.0 110.222 169.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.06 135.9 36.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.983 0.513 . . . . 0.0 111.119 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 81.1 t80 -57.28 133.13 54.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.201 1.001 . . . . 0.0 113.334 -169.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.3 p80 . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 124.907 1.283 . . . . 0.0 113.88 -175.32 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 122.171 0.986 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 582' ' ' TYR . 32.1 mttm -79.63 148.47 69.53 Favored Pre-proline 0 N--CA 1.471 0.616 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.235 -171.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.893 2.395 . . . . 0.0 110.919 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 12.4 t -52.79 130.89 47.57 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.863 1.665 . . . . 0.0 111.756 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -69.55 -6.81 19.39 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 113.492 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -96.19 -51.53 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.859 1.263 . . . . 0.0 113.871 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.8 p -123.43 -1.47 8.59 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 61.64 13.79 5.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.869 2.067 . . . . 0.0 114.832 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.47 149.23 98.23 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.585 1.154 . . . . 0.0 111.434 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 104.7 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.056 2.504 . . . . 0.0 110.263 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.91 150.55 32.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.54 110.0 1.84 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.489 1.116 . . . . 0.0 108.928 172.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . 0.414 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 10.6 t80 -85.74 134.57 33.95 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.816 0.846 . . . . 0.0 111.412 -172.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.69 70.58 77.14 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.264 1.426 . . . . 0.0 109.756 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -62.05 -27.95 79.78 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.583 2.855 . . . . 0.0 113.473 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -69.68 -16.32 63.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.748 1.619 . . . . 0.0 114.059 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.86 2.08 10.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.49 1.916 . . . . 0.0 113.498 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 45.01 41.41 5.36 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.602 1.961 . . . . 0.0 113.139 -169.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -124.94 150.6 46.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.633 1.573 . . . . 0.0 111.167 -171.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.18 131.96 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.38 124.27 47.31 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.542 1.137 . . . . 0.0 111.991 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.83 143.93 53.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.1 t -83.27 -21.37 33.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.003 1.321 . . . . 0.0 112.892 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -82.2 118.44 23.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.093 1.357 . . . . 0.0 110.728 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.23 -28.56 67.34 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.89 -18.43 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.21 -58.34 2.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.453 1.901 . . . . 0.0 111.52 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.14 55.88 14.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.13 1.824 . . . . 0.0 113.992 170.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -103.54 154.32 19.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.808 1.243 . . . . 0.0 112.419 -169.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -133.19 105.79 7.21 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.709 1.604 . . . . 0.0 109.238 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -127.37 155.45 43.58 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -76.46 123.23 25.7 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.672 1.589 . . . . 0.0 110.011 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.44 -7.59 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -91.81 -38.21 12.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.91 0.884 . . . . 0.0 113.209 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.48 0.37 8.24 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.79 33.41 23.19 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.579 1.951 . . . . 0.0 115.038 170.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.71 174.57 5.86 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.038 1.335 . . . . 0.0 110.277 169.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.19 134.44 33.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.109 0.564 . . . . 0.0 111.136 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.45 130.22 43.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.282 1.033 . . . . 0.0 112.916 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -170.123 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -88.67 149.4 43.96 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 123.407 0.683 . . . . 0.0 112.236 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -70.69 136.35 30.33 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.193 2.595 . . . . 0.0 111.237 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 33.0 t -57.03 130.66 79.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.501 1.52 . . . . 0.0 111.888 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.05 -10.5 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.908 3.072 . . . . 0.0 113.483 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.88 -50.42 5.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.608 1.163 . . . . 0.0 113.857 172.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.84 0.87 6.02 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 61.35 10.58 3.17 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.084 2.153 . . . . 0.0 116.13 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 2.9 m -73.45 152.03 89.74 Favored Pre-proline 0 N--CA 1.474 0.726 0 O-C-N 121.091 -1.006 . . . . 0.0 110.686 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.11 111.35 1.74 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.2 2.6 . . . . 0.0 110.414 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -80.24 149.24 30.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.253 1.421 . . . . 0.0 111.033 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -63.48 110.28 1.91 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.073 0.949 . . . . 0.0 108.793 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -86.75 135.13 33.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.862 0.865 . . . . 0.0 111.156 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -128.47 69.93 79.32 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.229 1.411 . . . . 0.0 109.737 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.38 -26.9 77.06 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.466 2.777 . . . . 0.0 113.481 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -70.0 -17.24 63.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.734 1.614 . . . . 0.0 114.045 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.91 2.5 11.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.539 1.936 . . . . 0.0 113.392 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.95 41.37 5.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.901 2.081 . . . . 0.0 113.317 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -124.08 151.75 43.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.793 1.637 . . . . 0.0 111.357 -172.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.67 133.47 5.76 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -119.88 123.13 42.85 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.631 1.172 . . . . 0.0 112.468 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.2 t -60.33 143.08 53.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.2 t -81.2 -23.74 37.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.827 1.251 . . . . 0.0 112.829 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -80.12 120.05 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.571 1.149 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.66 -30.4 69.93 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.09 -18.04 60.34 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.03 -58.5 2.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.415 1.886 . . . . 0.0 111.086 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.85 52.5 30.02 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.884 1.707 . . . . 0.0 113.956 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -99.35 153.63 18.82 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.688 1.195 . . . . 0.0 112.303 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -133.34 106.86 7.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.717 1.607 . . . . 0.0 109.485 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -128.69 154.82 45.92 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -168.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.0 t -76.39 124.83 28.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.863 1.665 . . . . 0.0 109.994 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.0 m -79.6 -2.48 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.2 mt -96.67 -38.35 9.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.218 1.007 . . . . 0.0 113.29 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.64 -0.52 10.78 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.8 mt 55.22 32.36 18.37 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.371 1.869 . . . . 0.0 114.147 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.1 m -112.68 173.83 6.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.266 1.427 . . . . 0.0 110.106 172.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.68 133.68 36.42 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.06 0.544 . . . . 0.0 111.183 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 76.9 t80 -56.18 133.37 52.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.367 1.067 . . . . 0.0 113.514 -169.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 124.802 1.241 . . . . 0.0 114.063 -174.534 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.43 150.89 39.7 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 124.18 0.992 . . . . 0.0 112.068 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.93 136.61 27.81 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.09 2.527 . . . . 0.0 111.617 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.0 t -56.96 130.69 79.42 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.702 1.601 . . . . 0.0 111.724 171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.87 -10.92 29.62 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.986 3.124 . . . . 0.0 113.528 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -93.34 -49.15 6.08 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.59 1.156 . . . . 0.0 113.638 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 8.1 p -129.99 0.77 4.77 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -167.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 62.78 13.71 6.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.705 2.002 . . . . 0.0 115.435 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 53.6 m -61.52 148.32 86.51 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 121.282 -0.886 . . . . 0.0 111.329 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -65.78 103.14 0.56 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.748 2.299 . . . . 0.0 109.812 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -79.24 145.4 33.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.473 1.109 . . . . 0.0 111.165 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -62.66 109.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.145 0.978 . . . . 0.0 109.081 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.22 135.42 33.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.976 0.91 . . . . 0.0 111.402 -171.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -129.01 70.23 81.45 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 125.218 1.407 . . . . 0.0 109.479 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.15 -28.07 79.35 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.508 2.805 . . . . 0.0 113.561 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -69.74 -18.53 63.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.941 1.696 . . . . 0.0 113.921 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.84 2.07 12.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.524 1.93 . . . . 0.0 113.247 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 43.93 42.68 4.8 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.081 2.152 . . . . 0.0 113.482 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -123.65 150.35 44.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.654 1.582 . . . . 0.0 111.309 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.31 133.07 5.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.11 0.862 . . . . 0.0 110.998 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.92 123.1 43.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.537 1.135 . . . . 0.0 112.307 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 31.4 t -60.44 145.34 48.55 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -89.26 -13.33 38.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.022 1.329 . . . . 0.0 113.353 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -87.77 119.47 28.13 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.0 -26.42 65.01 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -172.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.37 -10.54 59.51 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.417 1.087 . . . . 0.0 113.879 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.8 t -108.74 -59.74 1.84 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.806 2.042 . . . . 0.0 111.316 -175.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.9 56.05 15.67 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.879 1.704 . . . . 0.0 114.272 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -102.87 153.64 20.0 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.83 1.252 . . . . 0.0 112.36 -169.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -132.27 105.65 7.45 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.71 1.604 . . . . 0.0 109.239 -173.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.11 155.46 43.29 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -168.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.23 124.27 27.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.265 1.826 . . . . 0.0 110.221 169.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.3 m -79.71 -1.74 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -174.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.2 mt -97.05 -37.36 10.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.282 1.033 . . . . 0.0 113.422 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.99 -2.09 9.77 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.8 mt 56.36 30.73 17.4 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.177 1.791 . . . . 0.0 114.153 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -107.87 173.75 6.18 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.462 1.505 . . . . 0.0 110.361 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.22 135.18 38.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.835 -0.54 . . . . 0.0 111.189 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.79 134.54 55.16 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.413 1.085 . . . . 0.0 113.92 -169.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.5 p80 . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 125.136 1.375 . . . . 0.0 113.775 -176.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.49 150.36 56.78 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 123.007 0.523 . . . . 0.0 112.241 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.06 132.04 20.52 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.187 2.592 . . . . 0.0 110.951 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 15.5 t -55.16 131.61 68.79 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.954 1.702 . . . . 0.0 111.754 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.24 -9.13 25.48 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.842 3.028 . . . . 0.0 113.369 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.71 -51.33 4.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 113.824 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.9 p -123.78 -1.57 8.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -168.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 61.38 13.39 4.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.777 2.031 . . . . 0.0 114.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.5 97.8 Favored Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.521 1.129 . . . . 0.0 111.223 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.94 106.89 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.857 2.371 . . . . 0.0 110.312 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.47 147.54 27.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.942 1.297 . . . . 0.0 111.414 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.52 107.47 0.8 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.837 1.255 . . . . 0.0 109.135 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.12 133.67 33.86 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.825 0.85 . . . . 0.0 111.493 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -128.29 69.62 78.41 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.259 1.424 . . . . 0.0 109.812 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.09 -25.53 77.44 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.0 3.134 . . . . 0.0 114.28 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.76 -22.54 59.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.175 1.79 . . . . 0.0 113.783 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -110.98 0.82 17.14 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.459 1.904 . . . . 0.0 113.296 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.78 40.09 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.146 2.179 . . . . 0.0 113.567 -170.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 64.6 ttt180 -121.55 150.2 42.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.562 1.545 . . . . 0.0 111.143 -172.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.2 132.44 5.34 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 48.3 mt -118.82 123.19 44.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 112.3 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 20.9 t -61.35 144.08 54.61 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.8 t -84.67 -21.04 30.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.06 1.344 . . . . 0.0 112.891 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -81.94 118.48 22.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.1 1.36 . . . . 0.0 110.814 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.8 -29.14 68.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.58 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.4 t -96.41 -58.35 2.09 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.402 1.881 . . . . 0.0 111.525 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.16 59.84 6.64 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.206 1.86 . . . . 0.0 113.995 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.53 152.97 23.53 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.873 1.269 . . . . 0.0 112.197 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -132.4 106.36 7.84 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.824 1.65 . . . . 0.0 109.103 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -127.13 154.78 44.31 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.94 123.05 25.75 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.583 1.553 . . . . 0.0 109.575 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.64 -3.64 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.91 -32.63 11.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 113.126 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -124.98 -1.31 7.81 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.07 30.9 17.1 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.288 1.835 . . . . 0.0 114.359 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.07 173.66 6.23 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.596 1.558 . . . . 0.0 110.281 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.0 38.63 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.981 -0.449 . . . . 0.0 110.906 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 77.6 t80 -57.04 134.23 55.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.258 1.023 . . . . 0.0 113.52 -169.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.4 p80 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.768 1.227 . . . . 0.0 114.036 -174.648 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.16 151.2 37.31 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 124.349 1.059 . . . . 0.0 112.309 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.43 137.09 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.326 2.684 . . . . 0.0 111.558 174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 31.4 t -57.86 130.49 82.54 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.514 1.525 . . . . 0.0 111.727 170.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.92 -9.77 27.26 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 123.876 3.051 . . . . 0.0 113.509 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -94.42 -50.88 5.02 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.745 1.218 . . . . 0.0 113.829 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.61 0.75 6.83 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -167.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 62.04 10.26 3.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.94 2.096 . . . . 0.0 116.033 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.7 m -72.11 152.62 92.65 Favored Pre-proline 0 N--CA 1.474 0.736 0 O-C-N 121.105 -0.997 . . . . 0.0 111.308 169.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.44 110.77 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.386 2.724 . . . . 0.0 110.441 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.47 149.86 28.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 111.189 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.12 107.17 0.98 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.62 1.168 . . . . 0.0 108.866 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -84.59 135.23 34.28 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.97 0.908 . . . . 0.0 111.17 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -128.59 70.69 80.35 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.135 1.374 . . . . 0.0 109.644 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -28.08 80.77 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.607 2.871 . . . . 0.0 113.516 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.24 -18.21 63.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 113.974 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.65 1.99 11.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.429 1.892 . . . . 0.0 113.319 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 44.27 42.71 5.39 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 113.268 -169.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -124.5 152.29 43.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.749 1.62 . . . . 0.0 111.099 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.42 133.59 5.86 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -119.27 123.99 45.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.464 1.106 . . . . 0.0 112.384 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 27.2 t -61.08 146.44 47.31 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.6 t -86.81 -21.62 26.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.373 1.469 . . . . 0.0 113.045 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -81.53 119.62 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.964 1.306 . . . . 0.0 110.728 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.31 -26.56 64.78 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.16 -8.09 56.93 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.542 1.137 . . . . 0.0 113.932 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.0 t -112.16 -59.75 1.95 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.939 2.096 . . . . 0.0 110.976 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.01 54.98 20.57 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.878 1.704 . . . . 0.0 113.745 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -101.32 153.91 19.24 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.905 1.282 . . . . 0.0 112.542 -168.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -133.52 106.65 7.56 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.751 1.62 . . . . 0.0 109.212 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.57 155.08 45.48 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -168.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 34.9 t -76.45 124.79 28.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.818 1.647 . . . . 0.0 110.046 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -79.26 -5.8 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 48.5 mt -93.94 -38.13 11.34 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.997 0.919 . . . . 0.0 113.265 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 23.3 p -122.55 1.15 9.49 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.5 mt 55.37 33.52 21.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.845 2.058 . . . . 0.0 114.603 171.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.8 m -115.4 175.58 5.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.284 1.434 . . . . 0.0 110.268 170.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.93 133.41 32.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.214 0.606 . . . . 0.0 111.286 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -56.76 133.88 54.52 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.528 1.131 . . . . 0.0 113.458 -169.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.0 p80 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.552 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -88.9 151.2 46.94 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.635 0.774 . . . . 0.0 112.243 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.43 136.46 26.29 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.243 2.629 . . . . 0.0 111.445 170.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.69 132.55 82.55 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.048 1.739 . . . . 0.0 112.055 172.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.0 -10.64 28.84 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.854 3.036 . . . . 0.0 113.548 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -92.19 -50.68 5.54 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.536 1.135 . . . . 0.0 113.7 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.67 -2.61 7.29 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -168.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 61.21 14.38 5.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.346 1.858 . . . . 0.0 114.606 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -64.94 149.12 97.05 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 121.352 -0.842 . . . . 0.0 110.806 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.07 109.46 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.83 2.353 . . . . 0.0 110.084 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -85.76 145.35 27.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.72 108.64 1.03 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.153 . . . . 0.0 108.882 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.92 132.83 34.08 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.831 0.852 . . . . 0.0 111.411 -169.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -128.01 68.41 75.76 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.394 1.478 . . . . 0.0 109.9 -176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.69 -24.36 74.81 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.888 3.059 . . . . 0.0 114.251 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -73.37 -22.35 60.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.728 . . . . 0.0 113.646 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.9 1.46 17.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.605 1.962 . . . . 0.0 113.199 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 45.46 39.65 4.84 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.252 2.221 . . . . 0.0 113.649 -169.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -121.04 150.17 41.58 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.537 1.535 . . . . 0.0 111.29 -172.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.7 133.75 6.07 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 173.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.81 122.03 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.449 1.1 . . . . 0.0 112.291 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 18.8 t -61.02 140.2 57.89 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.602 0.715 . . . . 0.0 112.66 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.0 t -81.69 -21.22 38.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.694 1.198 . . . . 0.0 112.854 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.94 119.22 23.68 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.046 1.338 . . . . 0.0 110.905 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.82 -25.44 64.67 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.92 -10.2 59.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.499 1.12 . . . . 0.0 113.812 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.14 -59.55 1.98 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.664 1.985 . . . . 0.0 111.428 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.86 55.44 18.05 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.978 1.751 . . . . 0.0 114.13 170.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -103.22 152.38 21.55 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 112.069 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -131.1 105.97 8.06 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.587 1.555 . . . . 0.0 109.163 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -126.99 154.58 44.42 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -168.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 38.9 t -77.03 122.9 25.58 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.979 1.712 . . . . 0.0 109.499 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.23 -3.33 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.34 -32.22 11.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.882 1.273 . . . . 0.0 113.101 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.6 -1.82 7.96 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 92.8 mt 56.2 31.45 18.4 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.235 1.814 . . . . 0.0 114.064 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 81.7 m -108.66 173.29 6.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.683 1.593 . . . . 0.0 110.311 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.37 134.98 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.845 -0.534 . . . . 0.0 111.027 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.35 134.49 56.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 113.632 -169.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.9 p80 . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 124.955 1.302 . . . . 0.0 113.879 -175.474 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -101.74 151.56 37.94 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 124.117 0.967 . . . . 0.0 112.39 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.07 136.96 28.13 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.292 2.661 . . . . 0.0 111.245 171.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.3 131.65 81.02 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 0.0 111.715 170.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.29 -9.31 21.57 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.574 3.516 . . . . 0.0 113.795 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -104.78 -46.32 4.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 0.0 113.994 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -124.99 -1.36 7.8 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.15 13.51 4.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.355 1.862 . . . . 0.0 114.742 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 46.5 m -65.14 149.03 97.46 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 111.004 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.28 110.6 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.138 2.559 . . . . 0.0 109.918 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -84.54 146.36 27.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.756 1.223 . . . . 0.0 111.447 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -62.28 107.83 0.98 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.735 1.214 . . . . 0.0 108.695 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -86.51 132.81 33.82 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 -171.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -125.77 69.59 64.44 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.931 1.292 . . . . 0.0 110.008 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.18 -25.63 77.18 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 124.056 3.171 . . . . 0.0 114.369 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.6 -23.67 59.96 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.061 1.744 . . . . 0.0 113.705 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.24 -8.63 15.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.119 1.768 . . . . 0.0 113.586 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 53.79 40.99 32.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.485 1.914 . . . . 0.0 113.045 -169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -120.34 148.89 43.16 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.842 1.657 . . . . 0.0 110.777 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.93 130.69 4.79 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 44.8 mt -118.64 120.52 37.7 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.224 1.01 . . . . 0.0 112.074 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.44 134.96 57.49 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 112.169 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.2 t -78.92 -20.8 48.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 112.819 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -77.28 117.62 18.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.04 1.336 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.91 -23.75 64.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.95 -10.17 59.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.432 1.093 . . . . 0.0 113.804 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.8 -63.47 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.817 2.047 . . . . 0.0 111.083 -175.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.87 46.53 68.08 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.31 1.433 . . . . 0.0 114.093 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -93.65 149.71 21.01 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.883 1.273 . . . . 0.0 111.812 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -123.91 106.25 10.28 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.69 1.596 . . . . 0.0 109.872 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -127.42 154.95 44.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.91 122.88 25.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.39 1.476 . . . . 0.0 109.66 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.35 -10.22 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -175.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -93.66 -32.27 14.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.663 1.185 . . . . 0.0 112.985 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.65 2.0 4.48 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.78 30.43 18.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 115.159 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.8 m -106.52 174.52 5.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.417 1.487 . . . . 0.0 110.495 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.64 135.45 34.7 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.88 -0.513 . . . . 0.0 110.958 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.92 130.48 47.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.193 0.997 . . . . 0.0 112.714 -169.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.5 p80 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -170.032 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -102.5 151.76 38.26 Favored Pre-proline 0 N--CA 1.474 0.733 0 C-N-CA 124.573 1.149 . . . . 0.0 112.135 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.7 136.03 27.2 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.191 2.594 . . . . 0.0 111.313 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.6 t -57.62 131.54 82.12 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.619 1.568 . . . . 0.0 111.428 170.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.8 -8.45 19.67 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.437 3.424 . . . . 0.0 113.933 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -105.43 -45.56 4.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.918 1.287 . . . . 0.0 114.147 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.6 p -123.97 -2.8 8.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 60.95 14.06 5.01 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.224 1.81 . . . . 0.0 114.662 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 m -65.29 150.13 96.09 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.874 0.87 . . . . 0.0 110.877 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.3 107.99 0.91 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.929 2.419 . . . . 0.0 109.992 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.16 30.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.781 1.232 . . . . 0.0 110.905 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.54 110.42 1.69 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.245 1.018 . . . . 0.0 108.803 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.076 0.95 . . . . 0.0 111.158 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.14 70.87 78.98 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.154 1.382 . . . . 0.0 109.843 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.8 -27.76 80.92 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.546 2.83 . . . . 0.0 113.621 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -70.69 -18.26 62.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.937 1.695 . . . . 0.0 114.012 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.38 1.27 11.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.41 1.884 . . . . 0.0 113.437 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 44.95 42.39 6.21 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.949 2.099 . . . . 0.0 113.309 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.6 ttt180 -124.22 150.93 44.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.573 1.549 . . . . 0.0 111.043 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.87 131.84 5.12 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 38.5 mt -119.06 122.17 41.52 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 112.168 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.7 t -60.53 137.83 58.11 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.466 0.651 . . . . 0.0 112.411 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 18.0 t -79.77 -21.65 44.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.498 1.119 . . . . 0.0 112.895 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -77.88 118.61 20.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.91 1.284 . . . . 0.0 110.712 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.85 -26.58 66.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.6 -15.35 60.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 0.0 113.782 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 48.5 t -105.65 -62.09 1.41 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.607 1.963 . . . . 0.0 111.047 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.78 48.81 60.58 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.431 1.491 . . . . 0.0 114.226 169.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -97.54 153.49 18.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.713 1.205 . . . . 0.0 112.105 -169.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -130.65 106.33 8.41 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.8 1.64 . . . . 0.0 109.93 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.17 155.43 44.48 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.16 125.03 28.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.158 1.783 . . . . 0.0 110.103 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.0 m -78.91 -6.44 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.3 -37.3 12.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.108 0.963 . . . . 0.0 113.444 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -121.82 -2.02 9.35 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.0 mt 56.23 30.33 16.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.116 1.766 . . . . 0.0 114.237 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.3 m -106.72 172.88 6.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.36 1.464 . . . . 0.0 110.3 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.23 134.83 39.09 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 82.0 t80 -57.0 130.99 48.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.981 0.912 . . . . 0.0 113.024 -169.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.9 p80 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.105 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -93.15 150.27 38.88 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 123.601 0.761 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -72.18 138.78 31.23 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.088 2.525 . . . . 0.0 111.422 171.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.23 131.97 84.33 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.574 1.55 . . . . 0.0 111.807 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.79 -9.89 24.62 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.511 3.474 . . . . 0.0 113.879 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -104.6 -45.21 4.68 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.865 1.266 . . . . 0.0 114.005 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.69 -1.85 7.32 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.94 13.92 4.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.129 1.772 . . . . 0.0 114.61 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 148.87 97.59 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 123.939 0.896 . . . . 0.0 110.775 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.29 110.54 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.864 2.376 . . . . 0.0 109.814 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.09 146.26 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.545 1.138 . . . . 0.0 111.214 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.32 106.88 0.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.637 1.175 . . . . 0.0 108.582 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -85.6 133.46 34.05 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.97 0.908 . . . . 0.0 110.954 -172.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -126.51 68.89 68.8 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.82 1.248 . . . . 0.0 110.014 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.34 -25.85 76.66 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.767 2.978 . . . . 0.0 113.924 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -71.08 -20.03 62.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.751 1.62 . . . . 0.0 113.817 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.01 -7.03 12.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.271 1.828 . . . . 0.0 113.585 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 56.4 mttp 51.83 44.34 29.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.529 1.932 . . . . 0.0 112.866 -169.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -121.91 150.63 41.72 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.49 130.76 4.9 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -118.32 120.76 38.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.341 1.056 . . . . 0.0 112.162 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -59.1 136.84 58.08 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.142 0.577 . . . . 0.0 112.231 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -84.57 -10.49 57.35 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.073 0.949 . . . . 0.0 113.22 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -85.17 119.78 25.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.876 1.271 . . . . 0.0 110.549 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.32 -25.04 64.92 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 -173.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.09 -8.68 57.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.512 1.125 . . . . 0.0 113.943 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 46.8 t -116.49 -64.1 1.36 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.584 1.953 . . . . 0.0 111.175 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.82 47.18 66.1 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.208 1.385 . . . . 0.0 114.271 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -94.49 151.64 19.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.042 1.337 . . . . 0.0 112.028 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -126.38 106.07 9.23 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.582 1.553 . . . . 0.0 109.979 -173.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -127.78 155.78 43.5 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -169.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.26 126.03 30.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.021 1.728 . . . . 0.0 110.344 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.85 -3.48 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -174.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.7 mt -97.55 -36.92 10.15 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.134 0.974 . . . . 0.0 113.452 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -121.62 -1.5 9.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.2 mt 56.54 28.41 13.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.148 1.779 . . . . 0.0 114.395 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -104.43 174.39 5.89 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.54 1.536 . . . . 0.0 110.367 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.09 38.48 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.873 -0.517 . . . . 0.0 111.091 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -58.67 132.16 53.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.307 1.043 . . . . 0.0 113.281 -169.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.0 p80 . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 124.922 1.289 . . . . 0.0 114.107 -174.343 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -99.13 148.53 34.73 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 112.248 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.33 135.07 26.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.963 2.442 . . . . 0.0 111.183 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.91 132.77 79.59 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.353 1.461 . . . . 0.0 111.912 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 -11.25 31.44 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.102 3.202 . . . . 0.0 113.587 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -94.63 -47.54 6.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.623 1.169 . . . . 0.0 113.939 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -133.38 2.6 3.55 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -168.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 61.71 13.13 5.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.406 1.882 . . . . 0.0 115.445 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.9 t -60.48 143.89 89.26 Favored Pre-proline 0 CA--C 1.543 0.685 0 O-C-N 121.205 -0.934 . . . . 0.0 111.032 169.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.89 88.83 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.736 2.957 . . . . 0.0 110.487 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.18 149.11 50.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.806 1.643 . . . . 0.0 112.107 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.61 107.44 0.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.691 1.196 . . . . 0.0 109.36 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -86.09 134.08 33.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.981 0.912 . . . . 0.0 111.097 -172.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.74 71.52 77.97 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 109.842 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.89 -28.41 81.14 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.61 2.874 . . . . 0.0 113.516 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.41 -17.68 63.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.932 1.693 . . . . 0.0 114.046 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.9 1.25 11.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.389 1.876 . . . . 0.0 113.451 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.3 mttp 45.02 42.33 6.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.811 2.045 . . . . 0.0 113.131 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.4 ttt180 -124.46 150.4 45.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.561 1.544 . . . . 0.0 110.98 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.02 130.63 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 37.8 mt -116.95 123.28 46.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.343 1.057 . . . . 0.0 111.691 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -58.04 140.97 51.37 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.969 0.89 . . . . 0.0 113.02 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.4 m -89.87 -5.84 56.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.317 1.447 . . . . 0.0 113.23 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -91.05 119.53 31.28 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.424 1.49 . . . . 0.0 110.398 171.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.49 -29.35 68.76 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.51 59.68 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.7 t -97.07 -60.38 1.6 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.296 1.838 . . . . 0.0 111.253 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.64 53.02 34.62 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.224 1.392 . . . . 0.0 114.072 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -99.34 156.78 16.82 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 111.917 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -131.67 106.02 7.89 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.542 1.537 . . . . 0.0 109.858 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -127.02 154.75 44.24 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.74 124.64 27.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.056 1.743 . . . . 0.0 109.955 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.2 m -79.56 -4.28 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 mt -93.51 -36.77 12.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.126 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.8 1.28 7.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.22 31.23 18.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.238 1.815 . . . . 0.0 114.402 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 76.3 m -108.87 173.38 6.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.333 1.453 . . . . 0.0 110.317 171.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.14 135.01 38.52 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.939 -0.475 . . . . 0.0 110.967 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 83.1 t80 -57.27 131.31 49.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.17 0.988 . . . . 0.0 112.997 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -171.768 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -104.33 151.32 39.09 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.996 1.318 . . . . 0.0 112.139 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.23 136.25 28.75 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.232 2.622 . . . . 0.0 111.546 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.79 131.72 82.77 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.987 1.315 . . . . 0.0 111.048 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.66 -5.85 14.04 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 124.188 3.259 . . . . 0.0 113.949 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -109.23 -44.7 3.88 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.133 1.373 . . . . 0.0 114.4 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.1 p -123.28 -1.31 8.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 61.34 14.07 5.43 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.41 1.884 . . . . 0.0 114.855 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 16.0 m -65.72 148.7 98.05 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 124.766 1.226 . . . . 0.0 111.274 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.2 93.35 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 110.418 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.41 151.57 43.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.48 1.512 . . . . 0.0 111.667 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.95 107.47 1.0 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.345 1.058 . . . . 0.0 109.442 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -82.48 135.63 35.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.899 0.879 . . . . 0.0 111.067 -175.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.35 70.86 79.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.25 1.42 . . . . 0.0 109.642 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.94 -29.29 81.92 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.54 2.827 . . . . 0.0 113.398 -174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -69.17 -16.97 63.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.972 1.709 . . . . 0.0 114.057 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.0 1.77 11.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.487 1.915 . . . . 0.0 113.392 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 45.44 41.15 6.31 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.516 1.926 . . . . 0.0 112.908 -169.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -126.08 151.37 47.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.516 1.526 . . . . 0.0 110.998 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.11 131.28 5.35 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.62 125.13 51.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.108 0.963 . . . . 0.0 111.506 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.6 140.95 55.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.087 0.946 . . . . 0.0 112.799 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.5 m -88.25 -8.08 55.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.494 1.517 . . . . 0.0 113.195 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -91.34 119.24 31.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.729 1.611 . . . . 0.0 110.279 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.59 -28.82 68.09 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.1 -18.11 59.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.68 -61.33 1.39 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.439 1.896 . . . . 0.0 111.175 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.51 49.82 55.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.202 1.382 . . . . 0.0 114.323 170.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -96.89 154.31 17.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.072 1.349 . . . . 0.0 112.046 -169.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -129.25 105.19 7.98 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.48 1.512 . . . . 0.0 109.66 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.41 154.53 43.48 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.8 t -77.31 126.19 30.53 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.076 1.751 . . . . 0.0 110.01 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -80.77 -4.15 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.21 -34.7 12.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.443 1.097 . . . . 0.0 112.997 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.98 -1.81 7.15 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.4 mt 56.47 30.43 17.09 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.138 1.775 . . . . 0.0 114.366 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.6 m -105.88 173.41 6.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.13 1.372 . . . . 0.0 110.395 170.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.24 135.01 39.06 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.931 0.493 . . . . 0.0 110.888 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.01 129.43 41.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.986 0.914 . . . . 0.0 112.663 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.0 p80 . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -171.11 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 149.23 43.79 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 125.208 1.403 . . . . 0.0 111.25 170.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.59 145.93 48.11 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.82 2.347 . . . . 0.0 112.198 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 4.6 t -60.7 130.93 90.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.62 0.768 . . . . 0.0 111.271 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.01 -11.93 32.2 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.866 3.711 . . . . 0.0 113.939 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -103.1 -43.78 5.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.837 1.255 . . . . 0.0 113.795 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 13.2 p -132.85 0.35 3.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 61.6 23.51 13.79 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.59 1.556 . . . . 0.0 114.568 174.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 p -60.49 156.44 42.51 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 111.614 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.69 68.72 4.54 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.929 3.086 . . . . 0.0 110.687 171.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -55.65 140.22 42.06 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.902 1.681 . . . . 0.0 112.527 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.42 107.22 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.139 1.376 . . . . 0.0 109.639 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.07 134.65 34.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.043 0.937 . . . . 0.0 111.106 -174.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -128.45 70.47 79.69 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.108 1.363 . . . . 0.0 109.769 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.98 -27.54 79.72 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.414 2.743 . . . . 0.0 113.47 -175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -70.1 -17.02 63.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.837 1.655 . . . . 0.0 114.048 173.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -119.71 2.24 11.11 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.416 1.886 . . . . 0.0 113.468 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 45.23 41.27 5.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.685 1.994 . . . . 0.0 113.238 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 69.2 ttt180 -124.59 151.15 45.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.714 1.606 . . . . 0.0 111.225 -171.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.51 133.08 5.92 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 173.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.64 124.37 47.25 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.267 1.027 . . . . 0.0 111.708 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -58.34 139.28 55.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.5 m -90.58 -2.34 57.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.126 1.37 . . . . 0.0 113.585 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -95.5 117.58 30.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.593 1.557 . . . . 0.0 110.166 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -25.74 65.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.84 60.3 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 26.6 t -109.19 -62.55 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.869 2.067 . . . . 0.0 110.939 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.51 52.72 43.16 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 113.97 170.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -98.32 156.84 16.53 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.365 1.466 . . . . 0.0 112.004 -169.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -130.1 106.33 8.54 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.749 1.62 . . . . 0.0 109.832 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.09 155.08 43.87 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -78.05 126.8 31.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.179 1.792 . . . . 0.0 110.327 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.4 m -81.6 -3.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.23 -35.62 11.76 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.15 0.98 . . . . 0.0 113.155 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.5 p -124.3 -1.89 8.1 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.5 mt 56.46 28.18 13.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.914 1.686 . . . . 0.0 114.227 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.76 174.14 6.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.508 1.523 . . . . 0.0 110.358 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -54.15 137.29 40.88 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.702 -0.623 . . . . 0.0 111.11 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.2 t80 -58.35 133.61 55.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.91 0.884 . . . . 0.0 113.36 -169.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.1 p80 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 124.875 1.27 . . . . 0.0 113.91 -175.565 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -104.28 150.56 38.54 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.656 1.183 . . . . 0.0 112.588 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -70.21 137.21 33.62 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.35 2.7 . . . . 0.0 111.474 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 28.7 t -56.34 130.24 75.3 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.301 1.44 . . . . 0.0 111.244 169.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.67 -8.57 23.65 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.76 2.973 . . . . 0.0 113.384 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -97.56 -50.42 4.5 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 113.939 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.8 p -124.13 0.68 8.48 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -169.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 61.41 10.95 3.42 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.31 2.244 . . . . 0.0 116.203 172.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.8 m -74.36 151.21 87.6 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 121.06 -1.025 . . . . 0.0 111.616 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -67.62 104.05 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.55 2.833 . . . . 0.0 110.769 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.87 154.22 29.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.034 1.734 . . . . 0.0 111.618 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.01 108.49 1.23 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.405 1.082 . . . . 0.0 109.43 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -87.77 134.23 33.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.906 0.883 . . . . 0.0 111.534 -172.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -128.53 69.2 78.98 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.309 1.443 . . . . 0.0 109.85 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.1 -25.85 77.67 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 124.069 3.179 . . . . 0.0 114.366 -173.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.35 -21.89 60.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.112 1.765 . . . . 0.0 113.731 174.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -111.03 0.55 16.99 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.463 1.905 . . . . 0.0 113.227 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.75 39.61 5.41 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.97 2.108 . . . . 0.0 113.495 -169.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -121.41 150.22 41.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.542 1.537 . . . . 0.0 111.024 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.34 133.54 6.2 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.8 mt -118.89 122.75 43.02 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.262 1.025 . . . . 0.0 111.822 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.37 141.39 47.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.192 0.996 . . . . 0.0 113.115 -174.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 46.7 p -84.35 -11.25 56.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.249 1.819 . . . . 0.0 113.787 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -95.11 119.14 33.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.945 1.698 . . . . 0.0 110.8 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.15 -26.56 65.84 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.9 -9.37 58.64 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.27 -59.97 1.9 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.936 2.094 . . . . 0.0 110.552 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.39 52.37 37.38 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.618 1.58 . . . . 0.0 113.971 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -97.27 149.33 22.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.985 1.314 . . . . 0.0 111.578 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -125.33 105.68 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.481 1.512 . . . . 0.0 109.057 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.04 154.27 43.24 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -168.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.08 123.6 27.05 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.777 1.631 . . . . 0.0 109.607 169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.34 -5.53 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.17 -31.62 12.89 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.689 1.196 . . . . 0.0 112.909 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.57 0.27 5.55 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.34 31.9 19.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.527 1.931 . . . . 0.0 114.693 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.9 m -106.46 174.04 6.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.394 1.478 . . . . 0.0 110.303 169.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.62 137.15 37.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.795 -0.566 . . . . 0.0 110.888 172.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.34 127.14 30.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.09 0.956 . . . . 0.0 111.972 -170.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.6 p80 . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -168.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -98.98 151.6 37.45 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 124.279 1.032 . . . . 0.0 112.025 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.99 132.32 21.14 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.252 2.634 . . . . 0.0 111.082 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.39 130.92 70.1 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.572 1.549 . . . . 0.0 111.601 171.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.78 -7.88 22.18 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.681 2.921 . . . . 0.0 113.577 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -95.2 -51.52 4.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.891 1.277 . . . . 0.0 113.814 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 19.6 p -123.0 -1.62 8.8 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -168.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.43 13.54 5.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.802 2.041 . . . . 0.0 114.843 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.71 97.61 Favored Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.609 1.164 . . . . 0.0 111.316 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.96 105.26 0.79 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.06 2.507 . . . . 0.0 110.155 173.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.35 149.61 27.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.841 1.256 . . . . 0.0 111.648 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 108.53 1.28 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.777 1.231 . . . . 0.0 109.225 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.9 135.97 34.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.88 0.872 . . . . 0.0 111.262 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -127.51 70.55 76.49 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.772 1.229 . . . . 0.0 109.958 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -62.57 -25.77 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.677 2.918 . . . . 0.0 113.926 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -71.94 -18.85 61.98 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.819 1.647 . . . . 0.0 113.908 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -117.37 -7.88 11.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.169 1.788 . . . . 0.0 113.827 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 51.57 46.32 26.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.361 1.864 . . . . 0.0 112.71 -169.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -124.04 150.73 44.58 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.136 1.774 . . . . 0.0 110.724 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.76 130.54 4.76 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.0 0.809 . . . . 0.0 111.104 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 46.6 mt -119.22 124.67 47.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.421 1.088 . . . . 0.0 112.351 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 24.8 t -61.09 145.39 51.07 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.09 -12.48 41.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.039 1.336 . . . . 0.0 113.276 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -88.53 119.16 28.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 110.634 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.67 -29.34 68.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.56 -18.36 58.71 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 40.5 t -97.03 -58.38 2.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.407 1.883 . . . . 0.0 111.643 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.65 57.23 9.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.123 1.82 . . . . 0.0 114.174 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -104.44 154.12 20.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.728 1.211 . . . . 0.0 112.249 -169.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -132.72 106.51 7.81 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -126.81 155.33 43.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -168.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.6 t -77.38 124.56 28.04 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.626 1.57 . . . . 0.0 110.023 169.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.47 -5.57 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.51 -38.01 9.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.054 . . . . 0.0 113.573 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.4 p -119.71 -0.54 10.73 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.6 mt 55.37 30.88 15.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.43 1.892 . . . . 0.0 114.472 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.0 m -108.78 174.76 5.73 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.528 1.531 . . . . 0.0 110.238 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.76 134.17 36.65 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.938 -0.476 . . . . 0.0 111.109 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.12 131.65 51.16 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.502 1.121 . . . . 0.0 113.094 -169.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 124.915 1.286 . . . . 0.0 113.999 -172.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.76 153.53 52.43 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.573 1.549 . . . . 0.0 112.286 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.58 138.45 29.49 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.385 2.723 . . . . 0.0 111.671 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.94 132.69 86.96 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.92 1.688 . . . . 0.0 112.015 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.47 -10.1 27.26 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.824 3.016 . . . . 0.0 113.653 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -92.35 -51.01 5.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.357 1.063 . . . . 0.0 113.65 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.3 p -125.27 -2.34 7.55 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -168.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 61.61 14.68 6.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.36 1.864 . . . . 0.0 114.648 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 48.8 m -64.31 148.79 95.6 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.795 0.838 . . . . 0.0 111.083 171.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.33 106.52 1.04 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 123.364 2.709 . . . . 0.0 110.127 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.62 147.05 26.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.94 1.296 . . . . 0.0 111.989 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -58.8 107.54 0.53 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.473 1.509 . . . . 0.0 109.101 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.2 132.71 33.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.106 0.562 . . . . 0.0 111.256 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -129.24 67.41 78.57 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.146 1.379 . . . . 0.0 109.991 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.29 -22.77 72.27 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.854 3.036 . . . . 0.0 114.271 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -73.18 -22.89 60.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.834 1.653 . . . . 0.0 113.664 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.91 0.76 18.78 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.534 1.934 . . . . 0.0 113.209 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm 46.07 39.58 6.03 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.114 2.166 . . . . 0.0 113.449 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.8 ttt180 -121.14 149.14 43.23 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.687 1.595 . . . . 0.0 111.217 -172.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.09 133.39 5.99 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.0 123.47 42.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.305 1.042 . . . . 0.0 112.176 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.73 141.48 57.84 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.613 0.72 . . . . 0.0 112.717 -177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 t -82.46 -21.06 35.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.695 1.198 . . . . 0.0 112.808 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -82.38 119.33 24.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 111.013 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.66 -25.69 64.94 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.12 59.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.494 1.117 . . . . 0.0 113.863 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 43.9 t -111.87 -59.47 1.98 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.754 2.022 . . . . 0.0 111.492 -175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.35 57.09 10.84 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.914 1.721 . . . . 0.0 114.037 170.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -103.92 153.45 20.77 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.797 1.239 . . . . 0.0 112.052 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -132.04 106.22 7.88 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.683 1.593 . . . . 0.0 109.412 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.73 154.58 43.98 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.36 122.66 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.698 1.599 . . . . 0.0 109.336 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 19.0 m -77.43 -7.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.3 mt -94.52 -32.31 13.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.741 1.217 . . . . 0.0 113.167 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -127.96 0.86 5.95 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.6 mt 56.18 33.06 21.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.559 1.944 . . . . 0.0 114.427 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 82.5 m -111.23 173.64 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.613 1.565 . . . . 0.0 110.267 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.45 38.55 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.811 -0.556 . . . . 0.0 111.107 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.8 t80 -57.4 133.6 55.31 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.102 0.961 . . . . 0.0 113.332 -169.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.724 1.21 . . . . 0.0 114.084 -173.395 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.64 164.0 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.549 1.94 . . . . 0.0 115.031 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.53 165.26 21.33 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.75 1.22 . . . . 0.0 113.472 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -148.29 127.9 13.28 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.304 1.441 . . . . 0.0 110.637 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.13 126.04 12.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.308 2.243 . . . . 0.0 108.428 168.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -91.34 150.08 40.77 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.403 0.681 . . . . 0.0 112.38 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.71 135.32 25.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.154 2.569 . . . . 0.0 111.316 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 20.9 t -57.08 131.4 80.22 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.632 1.573 . . . . 0.0 111.623 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.05 -8.95 24.87 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.733 2.955 . . . . 0.0 113.516 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.24 -51.34 4.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.836 1.254 . . . . 0.0 113.757 173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.04 -2.16 8.71 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.23 13.6 4.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.622 1.969 . . . . 0.0 114.774 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.7 m -66.27 149.94 97.42 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 124.502 1.121 . . . . 0.0 111.146 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.5 106.53 0.88 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.812 2.341 . . . . 0.0 110.107 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.96 149.84 27.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.791 1.236 . . . . 0.0 111.212 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.28 106.76 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 108.895 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -83.78 134.23 34.74 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.776 0.83 . . . . 0.0 111.054 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.72 70.43 77.11 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.252 1.421 . . . . 0.0 109.652 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.19 -27.62 78.69 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.563 2.842 . . . . 0.0 113.418 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.08 -17.08 63.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.786 1.634 . . . . 0.0 114.045 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.04 2.45 10.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.454 1.901 . . . . 0.0 113.422 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.77 41.56 5.17 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.803 2.041 . . . . 0.0 113.264 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -124.48 151.39 44.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.646 1.578 . . . . 0.0 111.331 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.47 133.48 5.97 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.4 mt -119.54 123.67 44.54 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.486 1.115 . . . . 0.0 112.213 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.7 t -61.11 144.98 52.54 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.31 -12.19 41.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.002 1.321 . . . . 0.0 113.294 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -88.73 119.1 28.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.213 1.405 . . . . 0.0 110.607 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.67 -29.15 68.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -172.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.12 59.08 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.11 -58.43 1.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.461 1.905 . . . . 0.0 111.812 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.1 60.53 6.06 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.28 1.895 . . . . 0.0 114.227 170.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -107.98 153.48 23.02 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.815 1.246 . . . . 0.0 112.376 -169.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -133.1 106.53 7.68 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.795 1.638 . . . . 0.0 109.082 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -127.14 155.05 43.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -168.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.6 124.48 27.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.908 1.683 . . . . 0.0 110.026 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.46 -3.28 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.8 mt -95.82 -37.03 10.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.233 1.013 . . . . 0.0 113.231 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -122.14 -1.57 9.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.3 mt 56.01 31.16 17.47 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.301 1.841 . . . . 0.0 114.3 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.5 m -107.37 173.45 6.32 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.322 1.449 . . . . 0.0 110.285 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.87 40.66 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.958 -0.464 . . . . 0.0 110.947 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -56.63 131.95 50.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.402 1.081 . . . . 0.0 113.337 -169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -120.41 19.57 12.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.818 1.247 . . . . 0.0 114.056 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.48 -121.8 21.83 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.724 1.154 . . . . 0.0 114.345 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 18.7 m -80.59 -6.0 57.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.5 156.22 38.41 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.457 1.026 . . . . 0.0 112.281 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.11 153.84 29.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.903 0.881 . . . . 0.0 112.205 171.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 86.1 m -69.4 172.11 7.65 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.466 1.506 . . . . 0.0 113.015 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -120.45 152.4 38.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 112.191 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -83.29 157.63 22.55 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 112.192 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.246 0 C-N-CA 125.523 1.535 . . . . 0.0 112.77 178.4 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -77.51 132.83 38.58 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.323 0.965 . . . . 0.0 112.228 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -152.99 163.59 39.55 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.046 1.739 . . . . 0.0 111.921 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -145.86 120.15 9.58 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 111.666 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt -148.49 127.36 12.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.601 2.36 . . . . 0.0 107.97 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.2 147.56 33.24 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 123.148 0.579 . . . . 0.0 112.047 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.31 137.38 30.91 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.996 2.464 . . . . 0.0 111.213 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.27 131.0 80.84 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.206 1.402 . . . . 0.0 111.701 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.9 -10.4 25.1 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.75 3.633 . . . . 0.0 113.951 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -103.55 -45.13 4.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.909 1.283 . . . . 0.0 113.803 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 11.9 p -131.34 1.73 4.17 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 61.98 11.94 4.56 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.6 1.96 . . . . 0.0 115.417 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.2 t -60.33 142.97 89.9 Favored Pre-proline 0 CA--C 1.542 0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 111.018 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.73 102.5 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.15 2.567 . . . . 0.0 110.079 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.5 41.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 111.55 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.73 106.12 0.64 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.641 1.176 . . . . 0.0 108.623 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -84.4 132.7 34.56 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.896 0.878 . . . . 0.0 110.89 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.29 69.41 60.53 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.921 1.288 . . . . 0.0 109.941 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.44 -26.1 76.39 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.725 2.95 . . . . 0.0 113.877 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -71.13 -20.03 62.37 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.847 1.659 . . . . 0.0 113.901 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.94 -7.82 12.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.212 1.805 . . . . 0.0 113.566 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.8 45.35 28.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.573 1.949 . . . . 0.0 112.683 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -123.11 150.51 43.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.095 1.758 . . . . 0.0 110.71 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.49 4.39 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -116.9 121.59 41.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.28 1.032 . . . . 0.0 112.197 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.68 143.76 40.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.868 0.867 . . . . 0.0 113.209 -176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.6 t -90.95 -10.45 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.617 1.167 . . . . 0.0 113.381 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.51 118.3 24.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.592 1.157 . . . . 0.0 110.273 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.96 -25.71 64.68 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.39 -11.64 59.93 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.342 1.057 . . . . 0.0 113.788 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.3 t -109.06 -64.27 1.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.812 2.045 . . . . 0.0 111.047 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.98 50.04 56.54 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.097 1.332 . . . . 0.0 113.961 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -96.34 155.3 16.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.266 1.426 . . . . 0.0 112.248 -169.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -129.27 106.15 8.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.786 1.634 . . . . 0.0 110.004 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -128.37 156.26 43.39 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 31.9 t -75.99 124.36 27.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.077 1.751 . . . . 0.0 110.406 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.89 -4.14 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.9 -36.5 10.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.965 0.906 . . . . 0.0 113.12 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.44 -0.08 7.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 90.6 mt 57.84 29.22 17.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.563 1.945 . . . . 0.0 115.303 171.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.15 176.85 4.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.803 1.241 . . . . 0.0 110.258 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.8 134.94 30.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.345 0.658 . . . . 0.0 111.355 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -58.42 131.15 49.84 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.382 1.073 . . . . 0.0 113.066 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -121.48 19.73 11.23 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.937 1.295 . . . . 0.0 114.021 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.06 -120.66 11.38 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.031 1.3 . . . . 0.0 114.936 169.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 33.2 m -81.92 -8.67 59.69 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.78 152.91 31.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.199 0.909 . . . . 0.0 111.424 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -81.53 159.8 24.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.904 0.882 . . . . 0.0 113.019 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.0 m -72.15 159.85 33.44 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.306 1.442 . . . . 0.0 112.697 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -67.45 161.63 24.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.727 1.611 . . . . 0.0 113.363 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -129.39 155.34 45.83 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.112 1.765 . . . . 0.0 111.56 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.216 0 C-N-CA 125.477 1.513 . . . . 0.0 112.816 179.356 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.572 0.225 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -120.67 9.02 10.69 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.989 1.716 . . . . 0.0 112.549 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -140.05 174.07 10.89 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.01 1.724 . . . . 0.0 112.648 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -141.33 125.69 17.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.459 1.504 . . . . 0.0 110.484 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.1 mt -146.68 129.96 16.63 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.655 2.382 . . . . 0.0 108.523 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -96.13 152.08 38.63 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.146 0.978 . . . . 0.0 112.365 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.59 134.82 22.95 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.423 2.749 . . . . 0.0 111.431 172.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.03 132.21 83.69 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.867 1.667 . . . . 0.0 111.935 171.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.79 -10.28 28.14 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.949 3.099 . . . . 0.0 113.537 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -92.48 -50.94 5.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.506 1.122 . . . . 0.0 113.673 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.23 -2.26 7.58 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -168.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.89 13.95 4.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.457 1.903 . . . . 0.0 114.619 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 40.3 m -64.89 149.98 95.61 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.903 170.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.73 108.62 1.09 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.794 2.329 . . . . 0.0 110.051 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.6 146.21 28.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.765 1.226 . . . . 0.0 111.128 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.68 107.05 0.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.731 1.212 . . . . 0.0 108.766 172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -85.42 134.41 34.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.876 0.87 . . . . 0.0 111.065 -171.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -128.38 70.13 79.17 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.114 1.366 . . . . 0.0 109.781 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.01 -27.68 79.74 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.551 2.834 . . . . 0.0 113.589 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.29 -18.28 63.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.897 1.679 . . . . 0.0 114.049 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.48 1.81 11.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.575 1.95 . . . . 0.0 113.291 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 44.34 42.1 5.02 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.147 2.179 . . . . 0.0 113.244 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -123.35 151.73 42.22 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.683 1.593 . . . . 0.0 111.101 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.89 133.37 5.84 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.51 122.38 41.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.537 1.135 . . . . 0.0 112.138 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 18.1 t -60.94 139.22 58.08 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.485 0.66 . . . . 0.0 112.576 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.2 t -81.06 -20.99 40.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.583 1.153 . . . . 0.0 112.848 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -80.94 118.94 22.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.992 1.317 . . . . 0.0 110.968 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.65 -25.39 64.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.0 -10.53 59.49 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.538 1.135 . . . . 0.0 113.809 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 41.2 t -111.89 -59.28 2.01 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.691 1.996 . . . . 0.0 111.48 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.15 53.53 27.06 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.82 1.676 . . . . 0.0 114.268 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -101.28 153.58 19.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.815 1.246 . . . . 0.0 112.222 -169.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -132.35 106.46 7.91 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.606 1.562 . . . . 0.0 109.459 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -128.19 155.08 45.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -168.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.23 125.13 28.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.113 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.05 -5.85 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.77 -38.54 11.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.044 0.938 . . . . 0.0 113.431 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.1 p -120.05 -0.48 10.56 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 55.54 31.61 17.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.4 1.88 . . . . 0.0 114.237 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -110.85 173.85 6.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.366 1.467 . . . . 0.0 110.224 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.79 133.85 36.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.967 0.507 . . . . 0.0 111.082 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -56.69 133.75 54.19 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.347 1.059 . . . . 0.0 113.45 -169.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -126.01 20.65 7.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 114.101 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.83 -122.71 23.93 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.525 1.06 . . . . 0.0 114.07 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.4 m -84.73 -2.62 57.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.23 161.39 30.6 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.129 -0.982 . . . . 0.0 112.137 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.01 146.34 33.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.651 1.18 . . . . 0.0 113.531 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.81 165.21 24.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.197 1.399 . . . . 0.0 113.879 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.78 116.09 4.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.71 1.604 . . . . 0.0 110.806 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 52.92 31.71 11.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.903 1.681 . . . . 0.0 113.31 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 C-N-CA 125.65 1.595 . . . . 0.0 113.919 177.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 110.768 -0.086 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -121.0 8.88 10.47 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.956 1.302 . . . . 0.0 113.448 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.22 147.6 42.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.57 1.148 . . . . 0.0 112.853 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -83.96 91.97 7.73 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.34 1.056 . . . . 0.0 110.049 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.8 mt -144.93 132.41 20.82 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.353 1.861 . . . . 0.0 109.998 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.25 153.13 39.74 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.79 1.236 . . . . 0.0 112.3 173.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -72.68 135.9 24.69 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.455 2.77 . . . . 0.0 111.452 170.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 7.3 t -58.04 133.33 83.87 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.486 1.514 . . . . 0.0 111.922 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.0 -12.07 33.4 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.058 3.172 . . . . 0.0 113.524 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -92.87 -49.67 5.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.565 1.146 . . . . 0.0 113.722 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.59 0.77 4.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -167.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.94 14.01 6.04 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.372 1.869 . . . . 0.0 115.239 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.0 t -59.53 143.52 85.99 Favored Pre-proline 0 CA--C 1.543 0.68 0 O-C-N 121.21 -0.932 . . . . 0.0 111.096 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.76 90.12 0.42 Allowed 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.802 3.002 . . . . 0.0 110.464 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -72.43 148.45 45.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.199 1.8 . . . . 0.0 112.451 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -58.22 104.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.848 1.659 . . . . 0.0 108.999 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.84 130.11 35.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.629 0.772 . . . . 0.0 110.98 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.78 66.1 74.44 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.881 1.272 . . . . 0.0 110.656 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.79 -20.81 64.98 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 124.121 3.214 . . . . 0.0 114.435 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -71.7 -24.0 61.74 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.315 1.446 . . . . 0.0 113.311 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.54 -6.79 17.82 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.504 1.922 . . . . 0.0 113.26 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 52.49 39.2 27.39 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.792 2.037 . . . . 0.0 112.975 -168.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -119.35 149.27 42.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.857 1.663 . . . . 0.0 110.893 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.28 131.71 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.41 123.96 45.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.293 1.037 . . . . 0.0 111.859 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 24.1 t -58.8 140.68 54.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.92 0.867 . . . . 0.0 112.779 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.2 m -87.77 -6.02 58.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.304 1.441 . . . . 0.0 113.226 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -93.97 120.48 34.28 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.749 1.62 . . . . 0.0 110.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.85 -30.33 68.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.87 59.12 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.45 -56.69 3.21 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.267 1.827 . . . . 0.0 111.054 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.36 54.7 22.77 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.734 1.635 . . . . 0.0 113.99 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -102.02 153.95 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.789 1.236 . . . . 0.0 112.109 -169.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -130.96 106.65 8.55 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.614 1.565 . . . . 0.0 109.183 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -126.11 154.43 43.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.7 t -78.14 123.79 27.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.329 1.452 . . . . 0.0 109.48 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.29 -4.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.35 -32.87 11.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.89 1.276 . . . . 0.0 113.296 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.84 -0.03 7.33 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.1 mt 56.34 29.51 15.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.277 1.831 . . . . 0.0 114.602 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 77.8 m -104.2 174.21 5.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.724 1.61 . . . . 0.0 110.376 170.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.35 38.76 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.853 -0.529 . . . . 0.0 110.851 172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -58.88 132.22 53.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.323 1.049 . . . . 0.0 113.036 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -126.7 19.47 7.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.699 1.2 . . . . 0.0 114.065 -171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.01 -119.11 9.19 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.573 1.082 . . . . 0.0 113.983 173.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 68.1 p -88.36 -1.27 57.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.521 1.528 . . . . 0.0 115.113 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.23 167.23 20.8 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.164 -0.96 . . . . 0.0 112.35 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -77.24 144.31 38.31 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.076 -1.015 . . . . 0.0 113.36 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 77.6 m -72.13 168.01 19.07 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.705 1.602 . . . . 0.0 113.882 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -111.43 155.18 23.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.754 1.622 . . . . 0.0 112.528 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.89 156.72 37.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.741 1.216 . . . . 0.0 112.969 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.272 0 C-N-CA 125.422 1.487 . . . . 0.0 113.444 175.842 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.914 0.388 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.92 161.75 28.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.805 1.242 . . . . 0.0 113.558 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -129.28 165.17 21.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.966 1.706 . . . . 0.0 111.566 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -140.88 124.8 17.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.085 1.354 . . . . 0.0 111.304 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 85.1 mt -147.26 110.75 4.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.906 2.482 . . . . 0.0 108.042 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -77.21 149.0 78.82 Favored Pre-proline 0 N--CA 1.472 0.672 0 O-C-N 121.939 -0.476 . . . . 0.0 112.112 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.54 136.86 29.3 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.06 2.507 . . . . 0.0 111.153 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 9.9 t -56.4 131.26 76.3 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.784 1.634 . . . . 0.0 111.676 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.02 -9.21 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.099 3.199 . . . . 0.0 113.465 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -99.71 -46.72 5.33 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.751 1.22 . . . . 0.0 113.786 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.2 p -127.66 -1.37 6.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 61.31 13.39 4.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.281 1.832 . . . . 0.0 114.679 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -65.21 148.37 97.96 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 123.907 0.883 . . . . 0.0 110.687 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.06 113.6 2.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 109.795 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.76 148.92 26.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.576 1.151 . . . . 0.0 111.323 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -63.42 105.69 0.8 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.603 1.161 . . . . 0.0 108.31 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -83.84 133.1 34.76 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.8 0.84 . . . . 0.0 111.006 -172.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.75 69.05 75.8 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.143 1.377 . . . . 0.0 109.865 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.29 -26.84 77.5 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.527 2.818 . . . . 0.0 113.644 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -70.13 -19.56 63.22 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.811 1.644 . . . . 0.0 113.953 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -116.17 1.79 13.23 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.512 1.925 . . . . 0.0 113.268 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.2 mttp 44.4 42.29 5.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.23 2.212 . . . . 0.0 113.377 -169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -123.21 150.47 43.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.763 1.625 . . . . 0.0 111.007 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.55 131.18 5.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -117.47 119.55 35.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.352 1.061 . . . . 0.0 111.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 25.7 t -58.36 135.0 57.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.211 0.604 . . . . 0.0 112.2 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.1 t -82.01 -11.25 58.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.987 0.915 . . . . 0.0 113.207 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -84.93 117.93 24.23 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.982 1.313 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.68 -23.74 64.43 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.4 -9.71 58.81 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.492 1.117 . . . . 0.0 113.874 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.0 t -115.52 -63.93 1.39 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.744 2.018 . . . . 0.0 111.148 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.07 47.77 65.62 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.12 1.343 . . . . 0.0 114.289 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -94.87 150.53 20.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.938 1.295 . . . . 0.0 111.729 -170.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -125.82 106.1 9.43 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.62 1.568 . . . . 0.0 109.915 -172.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -127.83 155.54 43.94 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -168.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.3 t -77.21 124.82 28.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.174 1.789 . . . . 0.0 110.248 170.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.72 -3.34 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 46.9 mt -95.28 -37.6 10.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.049 0.94 . . . . 0.0 113.313 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.6 -4.77 9.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.3 mt 58.69 30.48 20.0 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.022 1.729 . . . . 0.0 114.499 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 95.5 m -106.73 174.28 5.96 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.126 1.37 . . . . 0.0 110.222 169.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.06 135.9 36.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.983 0.513 . . . . 0.0 111.119 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 81.1 t80 -57.28 133.13 54.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.201 1.001 . . . . 0.0 113.334 -169.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -124.48 21.73 8.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.907 1.283 . . . . 0.0 113.88 -175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.76 -123.37 31.85 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.336 0.97 . . . . 0.0 114.127 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.5 t -87.34 -0.71 57.17 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.86 157.46 37.41 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.864 -1.147 . . . . 0.0 112.527 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.95 149.35 50.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.385 1.474 . . . . 0.0 113.079 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.7 144.5 45.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.629 1.171 . . . . 0.0 111.536 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -138.03 164.8 28.17 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.116 1.366 . . . . 0.0 112.927 -168.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -65.68 154.12 39.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.46 1.504 . . . . 0.0 112.458 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 C-N-CA 125.774 1.654 . . . . 0.0 112.916 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.82 141.36 30.33 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.997 1.319 . . . . 0.0 111.259 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -141.95 159.61 41.88 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.585 1.554 . . . . 0.0 111.511 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -81.08 8.94 7.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.09 102.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.165 2.986 . . . . 0.0 110.419 174.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 582' ' ' TYR . 32.1 mttm -79.63 148.47 69.53 Favored Pre-proline 0 N--CA 1.471 0.616 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.235 -171.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.893 2.395 . . . . 0.0 110.919 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 12.4 t -52.79 130.89 47.57 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.863 1.665 . . . . 0.0 111.756 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -69.55 -6.81 19.39 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 113.492 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -96.19 -51.53 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.859 1.263 . . . . 0.0 113.871 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.8 p -123.43 -1.47 8.59 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 61.64 13.79 5.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.869 2.067 . . . . 0.0 114.832 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.47 149.23 98.23 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.585 1.154 . . . . 0.0 111.434 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 104.7 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.056 2.504 . . . . 0.0 110.263 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.91 150.55 32.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.54 110.0 1.84 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.489 1.116 . . . . 0.0 108.928 172.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . 0.414 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 10.6 t80 -85.74 134.57 33.95 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.816 0.846 . . . . 0.0 111.412 -172.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.69 70.58 77.14 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.264 1.426 . . . . 0.0 109.756 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -62.05 -27.95 79.78 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.583 2.855 . . . . 0.0 113.473 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -69.68 -16.32 63.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.748 1.619 . . . . 0.0 114.059 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.86 2.08 10.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.49 1.916 . . . . 0.0 113.498 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 45.01 41.41 5.36 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.602 1.961 . . . . 0.0 113.139 -169.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -124.94 150.6 46.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.633 1.573 . . . . 0.0 111.167 -171.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.18 131.96 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.38 124.27 47.31 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.542 1.137 . . . . 0.0 111.991 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.83 143.93 53.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.1 t -83.27 -21.37 33.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.003 1.321 . . . . 0.0 112.892 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -82.2 118.44 23.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.093 1.357 . . . . 0.0 110.728 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.23 -28.56 67.34 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.89 -18.43 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.21 -58.34 2.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.453 1.901 . . . . 0.0 111.52 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.14 55.88 14.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.13 1.824 . . . . 0.0 113.992 170.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -103.54 154.32 19.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.808 1.243 . . . . 0.0 112.419 -169.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -133.19 105.79 7.21 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.709 1.604 . . . . 0.0 109.238 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -127.37 155.45 43.58 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -76.46 123.23 25.7 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.672 1.589 . . . . 0.0 110.011 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.44 -7.59 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -91.81 -38.21 12.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.91 0.884 . . . . 0.0 113.209 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.48 0.37 8.24 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.79 33.41 23.19 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.579 1.951 . . . . 0.0 115.038 170.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.71 174.57 5.86 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.038 1.335 . . . . 0.0 110.277 169.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.19 134.44 33.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.109 0.564 . . . . 0.0 111.136 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.45 130.22 43.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.282 1.033 . . . . 0.0 112.916 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -122.17 17.48 10.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -170.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.02 -117.07 5.65 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.86 1.219 . . . . 0.0 114.186 170.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.6 m -84.16 -5.28 59.22 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.05 162.07 29.39 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.415 1.007 . . . . 0.0 112.022 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -81.78 157.3 24.54 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.343 -0.848 . . . . 0.0 113.008 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.45 171.93 14.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.119 1.768 . . . . 0.0 113.539 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -61.49 130.28 45.22 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.987 1.315 . . . . 0.0 111.351 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -155.21 161.79 41.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.779 1.631 . . . . 0.0 112.555 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.306 0 C-N-CA 125.39 1.471 . . . . 0.0 113.614 -178.473 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.601 0.239 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -144.01 161.8 37.84 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.968 1.307 . . . . 0.0 111.477 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.23 11.23 3.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.518 1.527 . . . . 0.0 115.092 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -146.76 125.33 12.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.886 2.075 . . . . 0.0 110.398 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt -147.29 124.79 11.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.116 2.166 . . . . 0.0 108.593 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -88.67 149.4 43.96 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 123.407 0.683 . . . . 0.0 112.236 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -70.69 136.35 30.33 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.193 2.595 . . . . 0.0 111.237 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 33.0 t -57.03 130.66 79.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.501 1.52 . . . . 0.0 111.888 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.05 -10.5 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.908 3.072 . . . . 0.0 113.483 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.88 -50.42 5.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.608 1.163 . . . . 0.0 113.857 172.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.84 0.87 6.02 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 61.35 10.58 3.17 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.084 2.153 . . . . 0.0 116.13 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 2.9 m -73.45 152.03 89.74 Favored Pre-proline 0 N--CA 1.474 0.726 0 O-C-N 121.091 -1.006 . . . . 0.0 110.686 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.11 111.35 1.74 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.2 2.6 . . . . 0.0 110.414 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -80.24 149.24 30.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.253 1.421 . . . . 0.0 111.033 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -63.48 110.28 1.91 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.073 0.949 . . . . 0.0 108.793 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -86.75 135.13 33.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.862 0.865 . . . . 0.0 111.156 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -128.47 69.93 79.32 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.229 1.411 . . . . 0.0 109.737 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.38 -26.9 77.06 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.466 2.777 . . . . 0.0 113.481 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -70.0 -17.24 63.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.734 1.614 . . . . 0.0 114.045 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.91 2.5 11.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.539 1.936 . . . . 0.0 113.392 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.95 41.37 5.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.901 2.081 . . . . 0.0 113.317 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -124.08 151.75 43.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.793 1.637 . . . . 0.0 111.357 -172.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.67 133.47 5.76 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -119.88 123.13 42.85 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.631 1.172 . . . . 0.0 112.468 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.2 t -60.33 143.08 53.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.2 t -81.2 -23.74 37.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.827 1.251 . . . . 0.0 112.829 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -80.12 120.05 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.571 1.149 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.66 -30.4 69.93 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.09 -18.04 60.34 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.03 -58.5 2.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.415 1.886 . . . . 0.0 111.086 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.85 52.5 30.02 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.884 1.707 . . . . 0.0 113.956 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -99.35 153.63 18.82 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.688 1.195 . . . . 0.0 112.303 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -133.34 106.86 7.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.717 1.607 . . . . 0.0 109.485 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -128.69 154.82 45.92 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -168.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.0 t -76.39 124.83 28.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.863 1.665 . . . . 0.0 109.994 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.0 m -79.6 -2.48 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.2 mt -96.67 -38.35 9.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.218 1.007 . . . . 0.0 113.29 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.64 -0.52 10.78 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.8 mt 55.22 32.36 18.37 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.371 1.869 . . . . 0.0 114.147 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.1 m -112.68 173.83 6.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.266 1.427 . . . . 0.0 110.106 172.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.68 133.68 36.42 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.06 0.544 . . . . 0.0 111.183 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 76.9 t80 -56.18 133.37 52.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.367 1.067 . . . . 0.0 113.514 -169.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -124.37 20.76 8.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.802 1.241 . . . . 0.0 114.063 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 55.76 -121.11 21.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.372 0.987 . . . . 0.0 113.995 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 56.2 m -88.02 -0.3 56.85 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -74.8 169.5 17.77 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.108 -0.995 . . . . 0.0 113.007 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -82.27 146.09 29.65 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.305 1.042 . . . . 0.0 112.471 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.73 165.94 18.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.824 1.25 . . . . 0.0 113.358 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.81 145.21 35.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.752 1.621 . . . . 0.0 112.47 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -120.05 159.98 23.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.527 1.931 . . . . 0.0 111.616 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 C-N-CA 125.37 1.462 . . . . 0.0 112.746 178.566 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.759 0.314 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.7 145.62 31.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.196 1.399 . . . . 0.0 111.189 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.7 151.9 47.55 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.025 1.33 . . . . 0.0 112.053 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -99.95 102.51 13.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.31 1.444 . . . . 0.0 109.319 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.1 mt -146.65 125.85 13.0 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.875 2.07 . . . . 0.0 109.308 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.43 150.89 39.7 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 124.18 0.992 . . . . 0.0 112.068 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.93 136.61 27.81 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.09 2.527 . . . . 0.0 111.617 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.0 t -56.96 130.69 79.42 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.702 1.601 . . . . 0.0 111.724 171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.87 -10.92 29.62 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.986 3.124 . . . . 0.0 113.528 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -93.34 -49.15 6.08 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.59 1.156 . . . . 0.0 113.638 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 8.1 p -129.99 0.77 4.77 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -167.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 62.78 13.71 6.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.705 2.002 . . . . 0.0 115.435 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 53.6 m -61.52 148.32 86.51 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 121.282 -0.886 . . . . 0.0 111.329 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -65.78 103.14 0.56 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.748 2.299 . . . . 0.0 109.812 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -79.24 145.4 33.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.473 1.109 . . . . 0.0 111.165 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -62.66 109.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.145 0.978 . . . . 0.0 109.081 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.22 135.42 33.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.976 0.91 . . . . 0.0 111.402 -171.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -129.01 70.23 81.45 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 125.218 1.407 . . . . 0.0 109.479 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.15 -28.07 79.35 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.508 2.805 . . . . 0.0 113.561 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -69.74 -18.53 63.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.941 1.696 . . . . 0.0 113.921 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.84 2.07 12.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.524 1.93 . . . . 0.0 113.247 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 43.93 42.68 4.8 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.081 2.152 . . . . 0.0 113.482 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -123.65 150.35 44.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.654 1.582 . . . . 0.0 111.309 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.31 133.07 5.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.11 0.862 . . . . 0.0 110.998 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.92 123.1 43.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.537 1.135 . . . . 0.0 112.307 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 31.4 t -60.44 145.34 48.55 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -89.26 -13.33 38.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.022 1.329 . . . . 0.0 113.353 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -87.77 119.47 28.13 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.0 -26.42 65.01 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -172.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.37 -10.54 59.51 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.417 1.087 . . . . 0.0 113.879 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.8 t -108.74 -59.74 1.84 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.806 2.042 . . . . 0.0 111.316 -175.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.9 56.05 15.67 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.879 1.704 . . . . 0.0 114.272 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -102.87 153.64 20.0 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.83 1.252 . . . . 0.0 112.36 -169.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -132.27 105.65 7.45 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.71 1.604 . . . . 0.0 109.239 -173.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.11 155.46 43.29 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -168.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.23 124.27 27.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.265 1.826 . . . . 0.0 110.221 169.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.3 m -79.71 -1.74 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -174.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.2 mt -97.05 -37.36 10.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.282 1.033 . . . . 0.0 113.422 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.99 -2.09 9.77 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.8 mt 56.36 30.73 17.4 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.177 1.791 . . . . 0.0 114.153 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -107.87 173.75 6.18 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.462 1.505 . . . . 0.0 110.361 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.22 135.18 38.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.835 -0.54 . . . . 0.0 111.189 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.79 134.54 55.16 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.413 1.085 . . . . 0.0 113.92 -169.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -127.38 23.37 6.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.136 1.375 . . . . 0.0 113.775 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 57.9 -127.76 45.85 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.251 -0.906 . . . . 0.0 114.16 170.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.4 p -86.19 -1.28 57.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.314 1.446 . . . . 0.0 114.591 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.87 154.8 41.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.09 -1.006 . . . . 0.0 111.777 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -78.53 143.89 36.14 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.307 -0.871 . . . . 0.0 112.606 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 67.2 m -67.18 148.67 51.49 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.573 1.149 . . . . 0.0 111.936 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -157.31 156.91 33.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.937 1.695 . . . . 0.0 112.167 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -109.41 11.96 24.84 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.943 1.697 . . . . 0.0 114.565 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 C-N-CA 126.622 2.058 . . . . 0.0 112.611 179.314 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -85.48 -1.38 57.01 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -174.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -138.12 164.83 28.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.149 2.18 . . . . 0.0 111.088 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -124.45 113.0 17.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.183 1.393 . . . . 0.0 109.978 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.0 mt -146.08 123.2 11.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.836 2.054 . . . . 0.0 108.887 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.49 150.36 56.78 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 123.007 0.523 . . . . 0.0 112.241 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.06 132.04 20.52 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.187 2.592 . . . . 0.0 110.951 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 15.5 t -55.16 131.61 68.79 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.954 1.702 . . . . 0.0 111.754 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.24 -9.13 25.48 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.842 3.028 . . . . 0.0 113.369 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.71 -51.33 4.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 113.824 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.9 p -123.78 -1.57 8.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -168.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 61.38 13.39 4.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.777 2.031 . . . . 0.0 114.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.5 97.8 Favored Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.521 1.129 . . . . 0.0 111.223 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.94 106.89 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.857 2.371 . . . . 0.0 110.312 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.47 147.54 27.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.942 1.297 . . . . 0.0 111.414 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.52 107.47 0.8 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.837 1.255 . . . . 0.0 109.135 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.12 133.67 33.86 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.825 0.85 . . . . 0.0 111.493 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -128.29 69.62 78.41 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.259 1.424 . . . . 0.0 109.812 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.09 -25.53 77.44 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.0 3.134 . . . . 0.0 114.28 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.76 -22.54 59.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.175 1.79 . . . . 0.0 113.783 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -110.98 0.82 17.14 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.459 1.904 . . . . 0.0 113.296 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.78 40.09 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.146 2.179 . . . . 0.0 113.567 -170.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 64.6 ttt180 -121.55 150.2 42.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.562 1.545 . . . . 0.0 111.143 -172.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.2 132.44 5.34 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 48.3 mt -118.82 123.19 44.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 112.3 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 20.9 t -61.35 144.08 54.61 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.8 t -84.67 -21.04 30.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.06 1.344 . . . . 0.0 112.891 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -81.94 118.48 22.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.1 1.36 . . . . 0.0 110.814 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.8 -29.14 68.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.58 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.4 t -96.41 -58.35 2.09 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.402 1.881 . . . . 0.0 111.525 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.16 59.84 6.64 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.206 1.86 . . . . 0.0 113.995 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -107.53 152.97 23.53 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.873 1.269 . . . . 0.0 112.197 -169.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -132.4 106.36 7.84 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.824 1.65 . . . . 0.0 109.103 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -127.13 154.78 44.31 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.94 123.05 25.75 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.583 1.553 . . . . 0.0 109.575 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.64 -3.64 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.91 -32.63 11.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 113.126 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -124.98 -1.31 7.81 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.07 30.9 17.1 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.288 1.835 . . . . 0.0 114.359 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.07 173.66 6.23 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.596 1.558 . . . . 0.0 110.281 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.0 38.63 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.981 -0.449 . . . . 0.0 110.906 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 77.6 t80 -57.04 134.23 55.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.258 1.023 . . . . 0.0 113.52 -169.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -125.3 20.86 8.05 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.768 1.227 . . . . 0.0 114.036 -174.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.69 -125.93 36.28 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.361 0.981 . . . . 0.0 114.16 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 18.9 m -83.26 -2.7 56.26 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.12 161.18 30.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.338 0.972 . . . . 0.0 112.035 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.34 150.58 40.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.618 1.167 . . . . 0.0 113.002 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.9 m -65.93 160.79 22.7 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 122.804 1.287 . . . . 0.0 113.697 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.42 27.32 0.27 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.733 2.013 . . . . 0.0 115.55 -167.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 50.19 44.79 26.15 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 127.132 2.173 . . . . 0.0 113.917 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 125.498 1.523 . . . . 0.0 113.732 178.411 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -144.48 3.81 1.16 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.14 1.376 . . . . 0.0 113.663 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.59 175.52 5.46 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.188 2.195 . . . . 0.0 112.917 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -136.54 124.92 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.794 1.638 . . . . 0.0 109.79 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt -147.22 131.0 16.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.554 2.342 . . . . 0.0 108.375 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.16 151.2 37.31 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 124.349 1.059 . . . . 0.0 112.309 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.43 137.09 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.326 2.684 . . . . 0.0 111.558 174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 31.4 t -57.86 130.49 82.54 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.514 1.525 . . . . 0.0 111.727 170.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.92 -9.77 27.26 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 123.876 3.051 . . . . 0.0 113.509 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -94.42 -50.88 5.02 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.745 1.218 . . . . 0.0 113.829 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.61 0.75 6.83 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -167.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 62.04 10.26 3.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.94 2.096 . . . . 0.0 116.033 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.7 m -72.11 152.62 92.65 Favored Pre-proline 0 N--CA 1.474 0.736 0 O-C-N 121.105 -0.997 . . . . 0.0 111.308 169.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.44 110.77 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.386 2.724 . . . . 0.0 110.441 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.47 149.86 28.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 111.189 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.12 107.17 0.98 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.62 1.168 . . . . 0.0 108.866 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -84.59 135.23 34.28 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.97 0.908 . . . . 0.0 111.17 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -128.59 70.69 80.35 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.135 1.374 . . . . 0.0 109.644 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -28.08 80.77 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.607 2.871 . . . . 0.0 113.516 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.24 -18.21 63.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 113.974 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.65 1.99 11.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.429 1.892 . . . . 0.0 113.319 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 44.27 42.71 5.39 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 113.268 -169.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -124.5 152.29 43.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.749 1.62 . . . . 0.0 111.099 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.42 133.59 5.86 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -119.27 123.99 45.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.464 1.106 . . . . 0.0 112.384 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 27.2 t -61.08 146.44 47.31 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.6 t -86.81 -21.62 26.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.373 1.469 . . . . 0.0 113.045 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -81.53 119.62 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.964 1.306 . . . . 0.0 110.728 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.31 -26.56 64.78 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.16 -8.09 56.93 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.542 1.137 . . . . 0.0 113.932 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.0 t -112.16 -59.75 1.95 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.939 2.096 . . . . 0.0 110.976 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.01 54.98 20.57 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.878 1.704 . . . . 0.0 113.745 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -101.32 153.91 19.24 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.905 1.282 . . . . 0.0 112.542 -168.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -133.52 106.65 7.56 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.751 1.62 . . . . 0.0 109.212 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.57 155.08 45.48 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -168.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 34.9 t -76.45 124.79 28.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.818 1.647 . . . . 0.0 110.046 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -79.26 -5.8 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 48.5 mt -93.94 -38.13 11.34 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.997 0.919 . . . . 0.0 113.265 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 23.3 p -122.55 1.15 9.49 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.5 mt 55.37 33.52 21.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.845 2.058 . . . . 0.0 114.603 171.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.8 m -115.4 175.58 5.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.284 1.434 . . . . 0.0 110.268 170.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.93 133.41 32.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.214 0.606 . . . . 0.0 111.286 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -56.76 133.88 54.52 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.528 1.131 . . . . 0.0 113.458 -169.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -123.57 19.68 9.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.49 -123.83 29.43 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.594 1.092 . . . . 0.0 114.234 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.4 m -83.57 -4.62 58.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.34 159.06 31.87 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.172 -0.955 . . . . 0.0 111.857 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.83 158.46 32.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.359 -0.838 . . . . 0.0 112.721 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.1 163.87 27.15 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.465 1.506 . . . . 0.0 113.545 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -59.97 147.99 36.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.994 1.718 . . . . 0.0 113.766 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -97.41 145.88 25.74 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.1 1.76 . . . . 0.0 111.46 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.384 0 C-N-CA 125.385 1.469 . . . . 0.0 113.713 177.629 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.45 24.27 4.43 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.025 1.33 . . . . 0.0 112.332 -169.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -142.07 172.3 12.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.382 1.873 . . . . 0.0 112.409 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -145.79 135.22 23.09 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.046 1.738 . . . . 0.0 109.633 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt -147.11 128.9 15.28 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.469 2.308 . . . . 0.0 108.978 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -88.9 151.2 46.94 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.635 0.774 . . . . 0.0 112.243 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.43 136.46 26.29 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.243 2.629 . . . . 0.0 111.445 170.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.69 132.55 82.55 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.048 1.739 . . . . 0.0 112.055 172.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.0 -10.64 28.84 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.854 3.036 . . . . 0.0 113.548 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -92.19 -50.68 5.54 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.536 1.135 . . . . 0.0 113.7 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.67 -2.61 7.29 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -168.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 61.21 14.38 5.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.346 1.858 . . . . 0.0 114.606 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -64.94 149.12 97.05 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 121.352 -0.842 . . . . 0.0 110.806 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.07 109.46 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.83 2.353 . . . . 0.0 110.084 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -85.76 145.35 27.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.72 108.64 1.03 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.153 . . . . 0.0 108.882 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.92 132.83 34.08 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.831 0.852 . . . . 0.0 111.411 -169.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -128.01 68.41 75.76 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.394 1.478 . . . . 0.0 109.9 -176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.69 -24.36 74.81 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.888 3.059 . . . . 0.0 114.251 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -73.37 -22.35 60.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.728 . . . . 0.0 113.646 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.9 1.46 17.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.605 1.962 . . . . 0.0 113.199 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 45.46 39.65 4.84 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.252 2.221 . . . . 0.0 113.649 -169.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -121.04 150.17 41.58 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.537 1.535 . . . . 0.0 111.29 -172.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.7 133.75 6.07 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 173.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.81 122.03 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.449 1.1 . . . . 0.0 112.291 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 18.8 t -61.02 140.2 57.89 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.602 0.715 . . . . 0.0 112.66 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.0 t -81.69 -21.22 38.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.694 1.198 . . . . 0.0 112.854 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.94 119.22 23.68 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.046 1.338 . . . . 0.0 110.905 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.82 -25.44 64.67 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.92 -10.2 59.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.499 1.12 . . . . 0.0 113.812 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.14 -59.55 1.98 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.664 1.985 . . . . 0.0 111.428 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.86 55.44 18.05 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.978 1.751 . . . . 0.0 114.13 170.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -103.22 152.38 21.55 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 112.069 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -131.1 105.97 8.06 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.587 1.555 . . . . 0.0 109.163 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -126.99 154.58 44.42 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -168.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 38.9 t -77.03 122.9 25.58 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.979 1.712 . . . . 0.0 109.499 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.23 -3.33 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.34 -32.22 11.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.882 1.273 . . . . 0.0 113.101 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.6 -1.82 7.96 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 92.8 mt 56.2 31.45 18.4 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.235 1.814 . . . . 0.0 114.064 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 81.7 m -108.66 173.29 6.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.683 1.593 . . . . 0.0 110.311 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.37 134.98 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.845 -0.534 . . . . 0.0 111.027 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.35 134.49 56.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 113.632 -169.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -126.41 21.86 7.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.955 1.302 . . . . 0.0 113.879 -175.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 55.62 -126.76 40.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.327 0.965 . . . . 0.0 113.866 172.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.1 m -83.19 -1.18 52.36 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -74.11 168.85 18.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.361 0.982 . . . . 0.0 113.15 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -83.67 142.98 30.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.357 1.063 . . . . 0.0 112.441 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.2 152.62 45.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.726 1.21 . . . . 0.0 112.688 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -81.88 158.53 23.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.681 1.192 . . . . 0.0 112.959 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -68.43 140.54 55.78 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.956 1.302 . . . . 0.0 111.531 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 0 C-N-CA 125.445 1.498 . . . . 0.0 113.341 176.782 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -83.02 162.82 21.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.504 1.121 . . . . 0.0 111.93 172.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -79.25 7.14 8.22 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -150.72 124.11 8.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.475 1.91 . . . . 0.0 110.839 170.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.8 mt -148.91 135.99 19.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.487 2.315 . . . . 0.0 107.847 168.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -101.74 151.56 37.94 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 124.117 0.967 . . . . 0.0 112.39 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.07 136.96 28.13 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.292 2.661 . . . . 0.0 111.245 171.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.3 131.65 81.02 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 0.0 111.715 170.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.29 -9.31 21.57 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.574 3.516 . . . . 0.0 113.795 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -104.78 -46.32 4.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 0.0 113.994 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -124.99 -1.36 7.8 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.15 13.51 4.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.355 1.862 . . . . 0.0 114.742 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 46.5 m -65.14 149.03 97.46 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 111.004 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.28 110.6 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.138 2.559 . . . . 0.0 109.918 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -84.54 146.36 27.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.756 1.223 . . . . 0.0 111.447 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -62.28 107.83 0.98 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.735 1.214 . . . . 0.0 108.695 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -86.51 132.81 33.82 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 -171.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -125.77 69.59 64.44 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.931 1.292 . . . . 0.0 110.008 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.18 -25.63 77.18 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 124.056 3.171 . . . . 0.0 114.369 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.6 -23.67 59.96 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.061 1.744 . . . . 0.0 113.705 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.24 -8.63 15.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.119 1.768 . . . . 0.0 113.586 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 53.79 40.99 32.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.485 1.914 . . . . 0.0 113.045 -169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -120.34 148.89 43.16 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.842 1.657 . . . . 0.0 110.777 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.93 130.69 4.79 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 44.8 mt -118.64 120.52 37.7 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.224 1.01 . . . . 0.0 112.074 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.5 t -59.44 134.96 57.49 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 112.169 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.2 t -78.92 -20.8 48.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 112.819 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -77.28 117.62 18.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.04 1.336 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.91 -23.75 64.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.95 -10.17 59.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.432 1.093 . . . . 0.0 113.804 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.8 -63.47 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.817 2.047 . . . . 0.0 111.083 -175.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.87 46.53 68.08 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.31 1.433 . . . . 0.0 114.093 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -93.65 149.71 21.01 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.883 1.273 . . . . 0.0 111.812 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -123.91 106.25 10.28 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.69 1.596 . . . . 0.0 109.872 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -127.42 154.95 44.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.91 122.88 25.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.39 1.476 . . . . 0.0 109.66 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.35 -10.22 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -175.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -93.66 -32.27 14.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.663 1.185 . . . . 0.0 112.985 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.65 2.0 4.48 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.78 30.43 18.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 115.159 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.8 m -106.52 174.52 5.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.417 1.487 . . . . 0.0 110.495 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.64 135.45 34.7 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.88 -0.513 . . . . 0.0 110.958 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.92 130.48 47.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.193 0.997 . . . . 0.0 112.714 -169.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -123.67 18.2 9.54 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.81 -119.25 10.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.872 1.225 . . . . 0.0 114.042 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.8 p -85.35 -4.88 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 0.0 114.908 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -70.14 160.12 32.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.187 0.995 . . . . 0.0 112.023 175.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -78.84 143.53 35.9 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.048 -1.032 . . . . 0.0 113.146 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.88 160.96 31.85 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 113.491 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -71.46 156.94 38.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.517 1.127 . . . . 0.0 112.277 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 -81.49 156.56 25.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.598 1.159 . . . . 0.0 111.795 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 C-N-CA 125.427 1.489 . . . . 0.0 113.543 176.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.93 1.34 1.13 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.124 1.37 . . . . 0.0 114.381 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.64 173.13 6.56 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.098 2.159 . . . . 0.0 113.003 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -131.61 117.69 19.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.381 1.472 . . . . 0.0 109.726 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.11 135.7 21.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.466 2.306 . . . . 0.0 108.358 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -102.5 151.76 38.26 Favored Pre-proline 0 N--CA 1.474 0.733 0 C-N-CA 124.573 1.149 . . . . 0.0 112.135 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.7 136.03 27.2 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.191 2.594 . . . . 0.0 111.313 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.6 t -57.62 131.54 82.12 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.619 1.568 . . . . 0.0 111.428 170.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.8 -8.45 19.67 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.437 3.424 . . . . 0.0 113.933 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -105.43 -45.56 4.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.918 1.287 . . . . 0.0 114.147 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.6 p -123.97 -2.8 8.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 60.95 14.06 5.01 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.224 1.81 . . . . 0.0 114.662 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 m -65.29 150.13 96.09 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.874 0.87 . . . . 0.0 110.877 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.3 107.99 0.91 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.929 2.419 . . . . 0.0 109.992 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.16 30.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.781 1.232 . . . . 0.0 110.905 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.54 110.42 1.69 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.245 1.018 . . . . 0.0 108.803 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.076 0.95 . . . . 0.0 111.158 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.14 70.87 78.98 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.154 1.382 . . . . 0.0 109.843 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.8 -27.76 80.92 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.546 2.83 . . . . 0.0 113.621 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -70.69 -18.26 62.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.937 1.695 . . . . 0.0 114.012 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.38 1.27 11.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.41 1.884 . . . . 0.0 113.437 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 44.95 42.39 6.21 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.949 2.099 . . . . 0.0 113.309 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.6 ttt180 -124.22 150.93 44.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.573 1.549 . . . . 0.0 111.043 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.87 131.84 5.12 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 38.5 mt -119.06 122.17 41.52 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 112.168 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.7 t -60.53 137.83 58.11 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.466 0.651 . . . . 0.0 112.411 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 18.0 t -79.77 -21.65 44.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.498 1.119 . . . . 0.0 112.895 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -77.88 118.61 20.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.91 1.284 . . . . 0.0 110.712 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.85 -26.58 66.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.6 -15.35 60.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 0.0 113.782 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 48.5 t -105.65 -62.09 1.41 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.607 1.963 . . . . 0.0 111.047 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.78 48.81 60.58 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.431 1.491 . . . . 0.0 114.226 169.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -97.54 153.49 18.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.713 1.205 . . . . 0.0 112.105 -169.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -130.65 106.33 8.41 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.8 1.64 . . . . 0.0 109.93 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.17 155.43 44.48 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.16 125.03 28.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.158 1.783 . . . . 0.0 110.103 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.0 m -78.91 -6.44 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.3 -37.3 12.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.108 0.963 . . . . 0.0 113.444 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -121.82 -2.02 9.35 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.0 mt 56.23 30.33 16.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.116 1.766 . . . . 0.0 114.237 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.3 m -106.72 172.88 6.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.36 1.464 . . . . 0.0 110.3 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.23 134.83 39.09 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 82.0 t80 -57.0 130.99 48.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.981 0.912 . . . . 0.0 113.024 -169.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -120.5 18.19 12.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.6 -117.68 6.8 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.908 1.242 . . . . 0.0 114.428 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.8 m -81.61 -6.72 59.27 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.86 153.19 41.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.518 1.053 . . . . 0.0 112.017 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.25 151.62 35.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.519 0.727 . . . . 0.0 111.26 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.0 151.63 39.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.084 0.954 . . . . 0.0 112.677 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -122.92 152.7 40.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.469 1.507 . . . . 0.0 112.542 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.85 126.69 30.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.249 1.42 . . . . 0.0 110.353 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.325 0 C-N-CA 125.269 1.414 . . . . 0.0 113.956 178.247 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.36 57.05 6.59 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.748 1.619 . . . . 0.0 113.448 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -136.29 164.81 27.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.091 1.757 . . . . 0.0 113.001 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -152.41 134.73 15.12 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.739 1.615 . . . . 0.0 110.125 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.62 129.1 14.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.573 2.349 . . . . 0.0 108.465 168.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -93.15 150.27 38.88 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 123.601 0.761 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -72.18 138.78 31.23 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.088 2.525 . . . . 0.0 111.422 171.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.23 131.97 84.33 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.574 1.55 . . . . 0.0 111.807 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.79 -9.89 24.62 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.511 3.474 . . . . 0.0 113.879 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -104.6 -45.21 4.68 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.865 1.266 . . . . 0.0 114.005 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.69 -1.85 7.32 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.94 13.92 4.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.129 1.772 . . . . 0.0 114.61 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 148.87 97.59 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 123.939 0.896 . . . . 0.0 110.775 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.29 110.54 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.864 2.376 . . . . 0.0 109.814 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.09 146.26 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.545 1.138 . . . . 0.0 111.214 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.32 106.88 0.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.637 1.175 . . . . 0.0 108.582 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -85.6 133.46 34.05 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.97 0.908 . . . . 0.0 110.954 -172.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -126.51 68.89 68.8 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.82 1.248 . . . . 0.0 110.014 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.34 -25.85 76.66 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.767 2.978 . . . . 0.0 113.924 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -71.08 -20.03 62.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.751 1.62 . . . . 0.0 113.817 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.01 -7.03 12.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.271 1.828 . . . . 0.0 113.585 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 56.4 mttp 51.83 44.34 29.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.529 1.932 . . . . 0.0 112.866 -169.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -121.91 150.63 41.72 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.49 130.76 4.9 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -118.32 120.76 38.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.341 1.056 . . . . 0.0 112.162 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -59.1 136.84 58.08 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.142 0.577 . . . . 0.0 112.231 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -84.57 -10.49 57.35 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.073 0.949 . . . . 0.0 113.22 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -85.17 119.78 25.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.876 1.271 . . . . 0.0 110.549 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.32 -25.04 64.92 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 -173.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.09 -8.68 57.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.512 1.125 . . . . 0.0 113.943 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 46.8 t -116.49 -64.1 1.36 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.584 1.953 . . . . 0.0 111.175 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.82 47.18 66.1 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.208 1.385 . . . . 0.0 114.271 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -94.49 151.64 19.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.042 1.337 . . . . 0.0 112.028 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -126.38 106.07 9.23 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.582 1.553 . . . . 0.0 109.979 -173.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -127.78 155.78 43.5 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -169.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.26 126.03 30.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.021 1.728 . . . . 0.0 110.344 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.85 -3.48 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -174.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.7 mt -97.55 -36.92 10.15 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.134 0.974 . . . . 0.0 113.452 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -121.62 -1.5 9.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.2 mt 56.54 28.41 13.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.148 1.779 . . . . 0.0 114.395 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -104.43 174.39 5.89 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.54 1.536 . . . . 0.0 110.367 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.09 38.48 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.873 -0.517 . . . . 0.0 111.091 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -58.67 132.16 53.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.307 1.043 . . . . 0.0 113.281 -169.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.25 19.94 8.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.922 1.289 . . . . 0.0 114.107 -174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.2 -123.01 29.83 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.428 1.013 . . . . 0.0 114.015 172.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 68.1 p -87.03 -2.81 58.9 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.56 159.63 32.99 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.922 -1.111 . . . . 0.0 111.617 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.33 146.58 30.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.052 0.941 . . . . 0.0 112.843 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.7 m -71.83 177.19 4.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.68 1.592 . . . . 0.0 113.411 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -131.75 63.76 1.61 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.489 1.916 . . . . 0.0 110.091 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 23.8 mtp-105 -79.27 -18.99 51.68 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.313 1.445 . . . . 0.0 114.703 -169.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 C-N-CA 125.786 1.66 . . . . 0.0 113.626 179.735 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.661 -0.125 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.1 0.19 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.25 1.42 . . . . 0.0 114.645 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -84.46 156.17 21.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.381 1.472 . . . . 0.0 112.463 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -148.31 126.52 12.18 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.374 1.47 . . . . 0.0 110.372 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.9 mt -148.4 132.65 17.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.598 2.359 . . . . 0.0 108.406 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -99.13 148.53 34.73 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 112.248 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.33 135.07 26.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.963 2.442 . . . . 0.0 111.183 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.91 132.77 79.59 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.353 1.461 . . . . 0.0 111.912 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 -11.25 31.44 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.102 3.202 . . . . 0.0 113.587 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -94.63 -47.54 6.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.623 1.169 . . . . 0.0 113.939 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -133.38 2.6 3.55 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -168.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 61.71 13.13 5.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.406 1.882 . . . . 0.0 115.445 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.9 t -60.48 143.89 89.26 Favored Pre-proline 0 CA--C 1.543 0.685 0 O-C-N 121.205 -0.934 . . . . 0.0 111.032 169.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.89 88.83 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.736 2.957 . . . . 0.0 110.487 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.18 149.11 50.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.806 1.643 . . . . 0.0 112.107 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.61 107.44 0.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.691 1.196 . . . . 0.0 109.36 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -86.09 134.08 33.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.981 0.912 . . . . 0.0 111.097 -172.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.74 71.52 77.97 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 109.842 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.89 -28.41 81.14 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.61 2.874 . . . . 0.0 113.516 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.41 -17.68 63.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.932 1.693 . . . . 0.0 114.046 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.9 1.25 11.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.389 1.876 . . . . 0.0 113.451 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.3 mttp 45.02 42.33 6.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.811 2.045 . . . . 0.0 113.131 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.4 ttt180 -124.46 150.4 45.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.561 1.544 . . . . 0.0 110.98 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.02 130.63 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 37.8 mt -116.95 123.28 46.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.343 1.057 . . . . 0.0 111.691 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -58.04 140.97 51.37 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.969 0.89 . . . . 0.0 113.02 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.4 m -89.87 -5.84 56.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.317 1.447 . . . . 0.0 113.23 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -91.05 119.53 31.28 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.424 1.49 . . . . 0.0 110.398 171.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.49 -29.35 68.76 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.51 59.68 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.7 t -97.07 -60.38 1.6 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.296 1.838 . . . . 0.0 111.253 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.64 53.02 34.62 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.224 1.392 . . . . 0.0 114.072 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -99.34 156.78 16.82 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 111.917 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -131.67 106.02 7.89 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.542 1.537 . . . . 0.0 109.858 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -127.02 154.75 44.24 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.74 124.64 27.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.056 1.743 . . . . 0.0 109.955 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.2 m -79.56 -4.28 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 mt -93.51 -36.77 12.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.126 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.8 1.28 7.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.22 31.23 18.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.238 1.815 . . . . 0.0 114.402 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 76.3 m -108.87 173.38 6.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.333 1.453 . . . . 0.0 110.317 171.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.14 135.01 38.52 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.939 -0.475 . . . . 0.0 110.967 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 83.1 t80 -57.27 131.31 49.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.17 0.988 . . . . 0.0 112.997 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -124.96 19.68 8.4 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.82 -118.19 8.51 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.753 1.168 . . . . 0.0 114.194 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.7 p -87.09 -3.92 59.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.441 1.497 . . . . 0.0 114.954 -178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.16 160.68 31.59 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.108 -0.995 . . . . 0.0 112.168 175.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.64 146.29 34.16 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.259 -0.901 . . . . 0.0 112.979 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.33 162.02 28.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.147 1.379 . . . . 0.0 113.18 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -63.35 147.81 50.11 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.432 1.493 . . . . 0.0 113.001 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -91.9 -30.73 15.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.642 1.177 . . . . 0.0 113.18 174.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 C-N-CA 126.042 1.782 . . . . 0.0 112.405 173.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.298 0.094 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -139.24 154.07 47.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.746 1.618 . . . . 0.0 111.805 -175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -81.23 166.38 20.63 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 113.419 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -86.52 92.47 8.88 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.642 1.177 . . . . 0.0 110.22 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.4 mt -146.72 133.18 19.68 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.429 1.892 . . . . 0.0 109.245 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -104.33 151.32 39.09 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.996 1.318 . . . . 0.0 112.139 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.23 136.25 28.75 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.232 2.622 . . . . 0.0 111.546 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.79 131.72 82.77 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.987 1.315 . . . . 0.0 111.048 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.66 -5.85 14.04 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 124.188 3.259 . . . . 0.0 113.949 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -109.23 -44.7 3.88 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.133 1.373 . . . . 0.0 114.4 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.1 p -123.28 -1.31 8.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 61.34 14.07 5.43 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.41 1.884 . . . . 0.0 114.855 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 16.0 m -65.72 148.7 98.05 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 124.766 1.226 . . . . 0.0 111.274 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.2 93.35 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 110.418 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.41 151.57 43.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.48 1.512 . . . . 0.0 111.667 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.95 107.47 1.0 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.345 1.058 . . . . 0.0 109.442 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -82.48 135.63 35.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.899 0.879 . . . . 0.0 111.067 -175.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.35 70.86 79.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.25 1.42 . . . . 0.0 109.642 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.94 -29.29 81.92 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.54 2.827 . . . . 0.0 113.398 -174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -69.17 -16.97 63.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.972 1.709 . . . . 0.0 114.057 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.0 1.77 11.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.487 1.915 . . . . 0.0 113.392 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 45.44 41.15 6.31 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.516 1.926 . . . . 0.0 112.908 -169.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -126.08 151.37 47.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.516 1.526 . . . . 0.0 110.998 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.11 131.28 5.35 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.62 125.13 51.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.108 0.963 . . . . 0.0 111.506 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.6 140.95 55.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.087 0.946 . . . . 0.0 112.799 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.5 m -88.25 -8.08 55.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.494 1.517 . . . . 0.0 113.195 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -91.34 119.24 31.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.729 1.611 . . . . 0.0 110.279 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.59 -28.82 68.09 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.1 -18.11 59.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.68 -61.33 1.39 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.439 1.896 . . . . 0.0 111.175 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.51 49.82 55.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.202 1.382 . . . . 0.0 114.323 170.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -96.89 154.31 17.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.072 1.349 . . . . 0.0 112.046 -169.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -129.25 105.19 7.98 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.48 1.512 . . . . 0.0 109.66 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.41 154.53 43.48 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.8 t -77.31 126.19 30.53 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.076 1.751 . . . . 0.0 110.01 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -80.77 -4.15 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.21 -34.7 12.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.443 1.097 . . . . 0.0 112.997 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.98 -1.81 7.15 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.4 mt 56.47 30.43 17.09 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.138 1.775 . . . . 0.0 114.366 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.6 m -105.88 173.41 6.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.13 1.372 . . . . 0.0 110.395 170.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.24 135.01 39.06 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.931 0.493 . . . . 0.0 110.888 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.01 129.43 41.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.986 0.914 . . . . 0.0 112.663 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -120.32 17.59 12.25 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -171.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.29 -116.1 4.82 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.042 1.306 . . . . 0.0 114.227 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.8 m -82.51 -6.55 59.38 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -72.46 154.75 40.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.489 1.04 . . . . 0.0 112.083 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -76.63 150.91 36.37 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.494 0.718 . . . . 0.0 111.411 169.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 70.7 m -63.54 152.0 39.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.364 1.065 . . . . 0.0 112.919 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -128.41 156.67 42.79 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.878 1.671 . . . . 0.0 111.793 -171.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.16 4.66 29.49 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 CA-C-O 117.697 -1.613 . . . . 0.0 113.036 -174.142 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -134.17 3.07 3.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -172.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.93 168.25 11.82 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.216 1.406 . . . . 0.0 113.14 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -152.06 142.71 22.79 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.358 1.863 . . . . 0.0 109.224 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt -148.12 149.73 32.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.295 2.638 . . . . 0.0 108.857 169.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 149.23 43.79 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 125.208 1.403 . . . . 0.0 111.25 170.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.59 145.93 48.11 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.82 2.347 . . . . 0.0 112.198 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 4.6 t -60.7 130.93 90.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.62 0.768 . . . . 0.0 111.271 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.01 -11.93 32.2 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.866 3.711 . . . . 0.0 113.939 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -103.1 -43.78 5.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.837 1.255 . . . . 0.0 113.795 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 13.2 p -132.85 0.35 3.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 61.6 23.51 13.79 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.59 1.556 . . . . 0.0 114.568 174.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 p -60.49 156.44 42.51 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 111.614 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.69 68.72 4.54 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.929 3.086 . . . . 0.0 110.687 171.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -55.65 140.22 42.06 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.902 1.681 . . . . 0.0 112.527 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.42 107.22 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.139 1.376 . . . . 0.0 109.639 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.07 134.65 34.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.043 0.937 . . . . 0.0 111.106 -174.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -128.45 70.47 79.69 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.108 1.363 . . . . 0.0 109.769 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.98 -27.54 79.72 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.414 2.743 . . . . 0.0 113.47 -175.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -70.1 -17.02 63.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.837 1.655 . . . . 0.0 114.048 173.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -119.71 2.24 11.11 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.416 1.886 . . . . 0.0 113.468 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 45.23 41.27 5.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.685 1.994 . . . . 0.0 113.238 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.418 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 69.2 ttt180 -124.59 151.15 45.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.714 1.606 . . . . 0.0 111.225 -171.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.51 133.08 5.92 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 173.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.64 124.37 47.25 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.267 1.027 . . . . 0.0 111.708 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -58.34 139.28 55.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.5 m -90.58 -2.34 57.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.126 1.37 . . . . 0.0 113.585 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -95.5 117.58 30.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.593 1.557 . . . . 0.0 110.166 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -25.74 65.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.84 60.3 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 26.6 t -109.19 -62.55 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.869 2.067 . . . . 0.0 110.939 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.51 52.72 43.16 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 113.97 170.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -98.32 156.84 16.53 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.365 1.466 . . . . 0.0 112.004 -169.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -130.1 106.33 8.54 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.749 1.62 . . . . 0.0 109.832 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.09 155.08 43.87 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -78.05 126.8 31.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.179 1.792 . . . . 0.0 110.327 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.4 m -81.6 -3.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.23 -35.62 11.76 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.15 0.98 . . . . 0.0 113.155 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.5 p -124.3 -1.89 8.1 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.5 mt 56.46 28.18 13.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.914 1.686 . . . . 0.0 114.227 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.76 174.14 6.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.508 1.523 . . . . 0.0 110.358 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -54.15 137.29 40.88 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.702 -0.623 . . . . 0.0 111.11 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.2 t80 -58.35 133.61 55.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.91 0.884 . . . . 0.0 113.36 -169.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -127.19 22.6 6.58 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.875 1.27 . . . . 0.0 113.91 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.96 -125.59 39.35 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.243 0.925 . . . . 0.0 114.175 170.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.1 p -85.88 -2.62 58.44 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.272 1.429 . . . . 0.0 114.635 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.06 157.78 37.15 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.147 -0.971 . . . . 0.0 111.842 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.72 147.41 31.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.493 1.117 . . . . 0.0 113.272 177.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.39 166.04 19.51 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.304 1.442 . . . . 0.0 113.647 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -67.45 144.87 55.5 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.264 1.426 . . . . 0.0 112.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -137.86 157.92 45.41 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.36 1.864 . . . . 0.0 111.628 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 C-N-CA 125.453 1.502 . . . . 0.0 113.644 -178.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.75 150.22 47.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.328 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -138.76 157.78 45.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.292 1.437 . . . . 0.0 112.205 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -154.22 137.45 15.68 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.562 1.945 . . . . 0.0 109.089 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 95.3 mt -148.54 140.44 23.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.695 2.398 . . . . 0.0 108.81 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -104.28 150.56 38.54 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.656 1.183 . . . . 0.0 112.588 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -70.21 137.21 33.62 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.35 2.7 . . . . 0.0 111.474 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 28.7 t -56.34 130.24 75.3 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.301 1.44 . . . . 0.0 111.244 169.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.67 -8.57 23.65 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.76 2.973 . . . . 0.0 113.384 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -97.56 -50.42 4.5 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 113.939 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.8 p -124.13 0.68 8.48 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -169.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 61.41 10.95 3.42 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.31 2.244 . . . . 0.0 116.203 172.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.8 m -74.36 151.21 87.6 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 121.06 -1.025 . . . . 0.0 111.616 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -67.62 104.05 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.55 2.833 . . . . 0.0 110.769 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.87 154.22 29.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.034 1.734 . . . . 0.0 111.618 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.01 108.49 1.23 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.405 1.082 . . . . 0.0 109.43 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -87.77 134.23 33.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.906 0.883 . . . . 0.0 111.534 -172.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -128.53 69.2 78.98 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.309 1.443 . . . . 0.0 109.85 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.1 -25.85 77.67 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 124.069 3.179 . . . . 0.0 114.366 -173.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.35 -21.89 60.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.112 1.765 . . . . 0.0 113.731 174.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -111.03 0.55 16.99 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.463 1.905 . . . . 0.0 113.227 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.75 39.61 5.41 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.97 2.108 . . . . 0.0 113.495 -169.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -121.41 150.22 41.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.542 1.537 . . . . 0.0 111.024 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.34 133.54 6.2 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.8 mt -118.89 122.75 43.02 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.262 1.025 . . . . 0.0 111.822 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.37 141.39 47.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.192 0.996 . . . . 0.0 113.115 -174.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 46.7 p -84.35 -11.25 56.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.249 1.819 . . . . 0.0 113.787 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -95.11 119.14 33.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.945 1.698 . . . . 0.0 110.8 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.15 -26.56 65.84 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.9 -9.37 58.64 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.27 -59.97 1.9 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.936 2.094 . . . . 0.0 110.552 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.39 52.37 37.38 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.618 1.58 . . . . 0.0 113.971 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -97.27 149.33 22.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.985 1.314 . . . . 0.0 111.578 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -125.33 105.68 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.481 1.512 . . . . 0.0 109.057 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.04 154.27 43.24 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -168.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.08 123.6 27.05 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.777 1.631 . . . . 0.0 109.607 169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.34 -5.53 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.17 -31.62 12.89 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.689 1.196 . . . . 0.0 112.909 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.57 0.27 5.55 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.34 31.9 19.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.527 1.931 . . . . 0.0 114.693 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.9 m -106.46 174.04 6.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.394 1.478 . . . . 0.0 110.303 169.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.62 137.15 37.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.795 -0.566 . . . . 0.0 110.888 172.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.34 127.14 30.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.09 0.956 . . . . 0.0 111.972 -170.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -118.81 16.55 13.51 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -168.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.13 -114.83 4.0 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.736 1.16 . . . . 0.0 114.309 169.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.6 p -86.48 -6.76 58.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -74.89 162.08 28.95 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.101 -0.999 . . . . 0.0 111.646 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.96 157.13 26.94 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.194 -0.941 . . . . 0.0 113.314 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 95.0 m -71.58 174.9 6.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.758 1.623 . . . . 0.0 113.09 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 75.9 mmt-85 -68.16 136.53 53.8 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.953 1.301 . . . . 0.0 110.894 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -129.06 157.53 41.48 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.989 1.716 . . . . 0.0 111.926 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 C-N-CA 125.521 1.534 . . . . 0.0 112.718 179.632 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.72 -2.71 24.56 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.621 1.169 . . . . 0.0 113.863 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -80.52 162.86 24.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.528 . . . . 0.0 111.985 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -77.03 84.14 3.54 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.542 -0.724 . . . . 0.0 110.228 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.3 mt -150.15 127.36 11.31 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.94 2.096 . . . . 0.0 108.776 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -98.98 151.6 37.45 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 124.279 1.032 . . . . 0.0 112.025 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.99 132.32 21.14 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.252 2.634 . . . . 0.0 111.082 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.39 130.92 70.1 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.572 1.549 . . . . 0.0 111.601 171.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.78 -7.88 22.18 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.681 2.921 . . . . 0.0 113.577 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -95.2 -51.52 4.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.891 1.277 . . . . 0.0 113.814 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 19.6 p -123.0 -1.62 8.8 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -168.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.43 13.54 5.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.802 2.041 . . . . 0.0 114.843 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.71 97.61 Favored Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.609 1.164 . . . . 0.0 111.316 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.96 105.26 0.79 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.06 2.507 . . . . 0.0 110.155 173.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.35 149.61 27.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.841 1.256 . . . . 0.0 111.648 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 108.53 1.28 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.777 1.231 . . . . 0.0 109.225 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.9 135.97 34.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.88 0.872 . . . . 0.0 111.262 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -127.51 70.55 76.49 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.772 1.229 . . . . 0.0 109.958 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -62.57 -25.77 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.677 2.918 . . . . 0.0 113.926 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -71.94 -18.85 61.98 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.819 1.647 . . . . 0.0 113.908 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -117.37 -7.88 11.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.169 1.788 . . . . 0.0 113.827 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 51.57 46.32 26.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.361 1.864 . . . . 0.0 112.71 -169.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -124.04 150.73 44.58 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.136 1.774 . . . . 0.0 110.724 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.76 130.54 4.76 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.0 0.809 . . . . 0.0 111.104 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 46.6 mt -119.22 124.67 47.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.421 1.088 . . . . 0.0 112.351 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 24.8 t -61.09 145.39 51.07 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.09 -12.48 41.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.039 1.336 . . . . 0.0 113.276 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -88.53 119.16 28.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 110.634 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.67 -29.34 68.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.56 -18.36 58.71 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 40.5 t -97.03 -58.38 2.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.407 1.883 . . . . 0.0 111.643 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.65 57.23 9.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.123 1.82 . . . . 0.0 114.174 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -104.44 154.12 20.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.728 1.211 . . . . 0.0 112.249 -169.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -132.72 106.51 7.81 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -126.81 155.33 43.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -168.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.6 t -77.38 124.56 28.04 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.626 1.57 . . . . 0.0 110.023 169.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.47 -5.57 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.51 -38.01 9.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.054 . . . . 0.0 113.573 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.4 p -119.71 -0.54 10.73 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.6 mt 55.37 30.88 15.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.43 1.892 . . . . 0.0 114.472 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.0 m -108.78 174.76 5.73 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.528 1.531 . . . . 0.0 110.238 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.76 134.17 36.65 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.938 -0.476 . . . . 0.0 111.109 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.12 131.65 51.16 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.502 1.121 . . . . 0.0 113.094 -169.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -124.43 19.44 8.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.915 1.286 . . . . 0.0 113.999 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.23 -124.17 29.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.637 1.113 . . . . 0.0 113.936 172.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.7 m -83.72 -3.61 57.93 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.88 161.07 30.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.43 1.092 . . . . 0.0 111.938 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 144.67 32.91 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.989 -1.07 . . . . 0.0 113.655 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 98.4 m -71.25 155.96 40.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.363 1.465 . . . . 0.0 113.573 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -72.75 154.07 40.84 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.743 1.217 . . . . 0.0 112.991 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -76.77 -30.79 56.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.619 1.168 . . . . 0.0 113.17 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.837 1.684 . . . . 0.0 112.729 178.842 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -82.48 142.1 32.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.007 0.923 . . . . 0.0 112.084 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.28 151.49 42.07 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.526 1.53 . . . . 0.0 111.737 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -95.49 92.68 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.515 1.126 . . . . 0.0 109.764 170.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 81.0 mt -146.86 153.02 39.66 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.936 2.094 . . . . 0.0 109.211 170.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.76 153.53 52.43 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.573 1.549 . . . . 0.0 112.286 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.58 138.45 29.49 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.385 2.723 . . . . 0.0 111.671 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.94 132.69 86.96 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.92 1.688 . . . . 0.0 112.015 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.47 -10.1 27.26 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.824 3.016 . . . . 0.0 113.653 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -92.35 -51.01 5.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.357 1.063 . . . . 0.0 113.65 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.3 p -125.27 -2.34 7.55 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -168.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 61.61 14.68 6.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.36 1.864 . . . . 0.0 114.648 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 48.8 m -64.31 148.79 95.6 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.795 0.838 . . . . 0.0 111.083 171.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.33 106.52 1.04 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 123.364 2.709 . . . . 0.0 110.127 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.62 147.05 26.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.94 1.296 . . . . 0.0 111.989 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -58.8 107.54 0.53 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.473 1.509 . . . . 0.0 109.101 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.2 132.71 33.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.106 0.562 . . . . 0.0 111.256 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -129.24 67.41 78.57 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.146 1.379 . . . . 0.0 109.991 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.29 -22.77 72.27 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.854 3.036 . . . . 0.0 114.271 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -73.18 -22.89 60.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.834 1.653 . . . . 0.0 113.664 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.91 0.76 18.78 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.534 1.934 . . . . 0.0 113.209 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm 46.07 39.58 6.03 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.114 2.166 . . . . 0.0 113.449 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.8 ttt180 -121.14 149.14 43.23 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.687 1.595 . . . . 0.0 111.217 -172.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.09 133.39 5.99 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.0 123.47 42.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.305 1.042 . . . . 0.0 112.176 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.73 141.48 57.84 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.613 0.72 . . . . 0.0 112.717 -177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 t -82.46 -21.06 35.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.695 1.198 . . . . 0.0 112.808 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -82.38 119.33 24.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 111.013 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.66 -25.69 64.94 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.12 59.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.494 1.117 . . . . 0.0 113.863 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 43.9 t -111.87 -59.47 1.98 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.754 2.022 . . . . 0.0 111.492 -175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.35 57.09 10.84 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.914 1.721 . . . . 0.0 114.037 170.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -103.92 153.45 20.77 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.797 1.239 . . . . 0.0 112.052 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -132.04 106.22 7.88 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.683 1.593 . . . . 0.0 109.412 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.73 154.58 43.98 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.36 122.66 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.698 1.599 . . . . 0.0 109.336 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 19.0 m -77.43 -7.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.3 mt -94.52 -32.31 13.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.741 1.217 . . . . 0.0 113.167 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -127.96 0.86 5.95 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.6 mt 56.18 33.06 21.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.559 1.944 . . . . 0.0 114.427 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 82.5 m -111.23 173.64 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.613 1.565 . . . . 0.0 110.267 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.45 38.55 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.811 -0.556 . . . . 0.0 111.107 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.8 t80 -57.4 133.6 55.31 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.102 0.961 . . . . 0.0 113.332 -169.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -126.93 21.06 6.93 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.724 1.21 . . . . 0.0 114.084 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.43 -126.33 40.72 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.471 1.034 . . . . 0.0 114.024 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.5 p -85.74 -2.54 58.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.317 1.447 . . . . 0.0 114.801 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.25 158.98 33.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.063 -1.023 . . . . 0.0 111.956 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.03 143.89 43.31 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.089 -1.007 . . . . 0.0 113.014 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.69 161.6 29.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.044 1.338 . . . . 0.0 113.4 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -67.17 167.32 12.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.845 1.658 . . . . 0.0 113.133 171.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -77.32 163.83 26.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.527 1.131 . . . . 0.0 111.787 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 C-N-CA 125.841 1.686 . . . . 0.0 113.672 -179.789 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -91.34 150.08 40.77 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.403 0.681 . . . . 0.0 112.38 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.71 135.32 25.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.154 2.569 . . . . 0.0 111.316 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 20.9 t -57.08 131.4 80.22 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.632 1.573 . . . . 0.0 111.623 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.05 -8.95 24.87 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.733 2.955 . . . . 0.0 113.516 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.24 -51.34 4.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.836 1.254 . . . . 0.0 113.757 173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.04 -2.16 8.71 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.23 13.6 4.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.622 1.969 . . . . 0.0 114.774 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.7 m -66.27 149.94 97.42 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 124.502 1.121 . . . . 0.0 111.146 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.5 106.53 0.88 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.812 2.341 . . . . 0.0 110.107 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.96 149.84 27.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.791 1.236 . . . . 0.0 111.212 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.28 106.76 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 108.895 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -83.78 134.23 34.74 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.776 0.83 . . . . 0.0 111.054 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.72 70.43 77.11 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.252 1.421 . . . . 0.0 109.652 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.19 -27.62 78.69 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.563 2.842 . . . . 0.0 113.418 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.08 -17.08 63.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.786 1.634 . . . . 0.0 114.045 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.04 2.45 10.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.454 1.901 . . . . 0.0 113.422 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.77 41.56 5.17 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.803 2.041 . . . . 0.0 113.264 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -124.48 151.39 44.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.646 1.578 . . . . 0.0 111.331 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.47 133.48 5.97 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.4 mt -119.54 123.67 44.54 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.486 1.115 . . . . 0.0 112.213 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.7 t -61.11 144.98 52.54 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.31 -12.19 41.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.002 1.321 . . . . 0.0 113.294 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -88.73 119.1 28.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.213 1.405 . . . . 0.0 110.607 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.67 -29.15 68.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -172.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.12 59.08 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.11 -58.43 1.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.461 1.905 . . . . 0.0 111.812 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.1 60.53 6.06 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.28 1.895 . . . . 0.0 114.227 170.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.423 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.3 t80 -107.98 153.48 23.02 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.815 1.246 . . . . 0.0 112.376 -169.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -133.1 106.53 7.68 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.795 1.638 . . . . 0.0 109.082 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -127.14 155.05 43.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -168.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.6 124.48 27.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.908 1.683 . . . . 0.0 110.026 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.46 -3.28 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.8 mt -95.82 -37.03 10.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.233 1.013 . . . . 0.0 113.231 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -122.14 -1.57 9.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.3 mt 56.01 31.16 17.47 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.301 1.841 . . . . 0.0 114.3 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.5 m -107.37 173.45 6.32 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.322 1.449 . . . . 0.0 110.285 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.87 40.66 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.958 -0.464 . . . . 0.0 110.947 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -56.63 131.95 50.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.402 1.081 . . . . 0.0 113.337 -169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.818 1.247 . . . . 0.0 114.056 -175.037 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.2 147.56 33.24 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 123.148 0.579 . . . . 0.0 112.047 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.31 137.38 30.91 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.996 2.464 . . . . 0.0 111.213 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.27 131.0 80.84 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.206 1.402 . . . . 0.0 111.701 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.9 -10.4 25.1 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.75 3.633 . . . . 0.0 113.951 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -103.55 -45.13 4.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.909 1.283 . . . . 0.0 113.803 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 11.9 p -131.34 1.73 4.17 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 61.98 11.94 4.56 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.6 1.96 . . . . 0.0 115.417 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.2 t -60.33 142.97 89.9 Favored Pre-proline 0 CA--C 1.542 0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 111.018 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.73 102.5 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.15 2.567 . . . . 0.0 110.079 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.5 41.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 111.55 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.73 106.12 0.64 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.641 1.176 . . . . 0.0 108.623 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -84.4 132.7 34.56 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.896 0.878 . . . . 0.0 110.89 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.29 69.41 60.53 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.921 1.288 . . . . 0.0 109.941 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.44 -26.1 76.39 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.725 2.95 . . . . 0.0 113.877 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -71.13 -20.03 62.37 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.847 1.659 . . . . 0.0 113.901 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.94 -7.82 12.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.212 1.805 . . . . 0.0 113.566 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.8 45.35 28.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.573 1.949 . . . . 0.0 112.683 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -123.11 150.51 43.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.095 1.758 . . . . 0.0 110.71 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.49 4.39 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -116.9 121.59 41.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.28 1.032 . . . . 0.0 112.197 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 35.7 t -57.68 143.76 40.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.868 0.867 . . . . 0.0 113.209 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.6 t -90.95 -10.45 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.617 1.167 . . . . 0.0 113.381 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.51 118.3 24.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.592 1.157 . . . . 0.0 110.273 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.96 -25.71 64.68 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.39 -11.64 59.93 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.342 1.057 . . . . 0.0 113.788 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.3 t -109.06 -64.27 1.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.812 2.045 . . . . 0.0 111.047 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.98 50.04 56.54 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.097 1.332 . . . . 0.0 113.961 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.1 t80 -96.34 155.3 16.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.266 1.426 . . . . 0.0 112.248 -169.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -129.27 106.15 8.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.786 1.634 . . . . 0.0 110.004 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -128.37 156.26 43.39 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 31.9 t -75.99 124.36 27.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.077 1.751 . . . . 0.0 110.406 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.89 -4.14 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.9 -36.5 10.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.965 0.906 . . . . 0.0 113.12 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.44 -0.08 7.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 90.6 mt 57.84 29.22 17.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.563 1.945 . . . . 0.0 115.303 171.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.15 176.85 4.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.803 1.241 . . . . 0.0 110.258 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.8 134.94 30.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.345 0.658 . . . . 0.0 111.355 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -58.42 131.15 49.84 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.382 1.073 . . . . 0.0 113.066 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 124.937 1.295 . . . . 0.0 114.021 -174.448 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -96.13 152.08 38.63 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.146 0.978 . . . . 0.0 112.365 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.59 134.82 22.95 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.423 2.749 . . . . 0.0 111.431 172.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.03 132.21 83.69 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.867 1.667 . . . . 0.0 111.935 171.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.79 -10.28 28.14 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.949 3.099 . . . . 0.0 113.537 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -92.48 -50.94 5.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.506 1.122 . . . . 0.0 113.673 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.23 -2.26 7.58 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -168.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.89 13.95 4.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.457 1.903 . . . . 0.0 114.619 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 40.3 m -64.89 149.98 95.61 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.903 170.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.73 108.62 1.09 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.794 2.329 . . . . 0.0 110.051 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.6 146.21 28.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.765 1.226 . . . . 0.0 111.128 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.68 107.05 0.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.731 1.212 . . . . 0.0 108.766 172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -85.42 134.41 34.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.876 0.87 . . . . 0.0 111.065 -171.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -128.38 70.13 79.17 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.114 1.366 . . . . 0.0 109.781 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.01 -27.68 79.74 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.551 2.834 . . . . 0.0 113.589 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.29 -18.28 63.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.897 1.679 . . . . 0.0 114.049 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.48 1.81 11.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.575 1.95 . . . . 0.0 113.291 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 44.34 42.1 5.02 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.147 2.179 . . . . 0.0 113.244 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -123.35 151.73 42.22 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.683 1.593 . . . . 0.0 111.101 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.89 133.37 5.84 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.51 122.38 41.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.537 1.135 . . . . 0.0 112.138 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.1 t -60.94 139.22 58.08 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.485 0.66 . . . . 0.0 112.576 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.2 t -81.06 -20.99 40.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.583 1.153 . . . . 0.0 112.848 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -80.94 118.94 22.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.992 1.317 . . . . 0.0 110.968 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.65 -25.39 64.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.0 -10.53 59.49 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.538 1.135 . . . . 0.0 113.809 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 41.2 t -111.89 -59.28 2.01 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.691 1.996 . . . . 0.0 111.48 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.15 53.53 27.06 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.82 1.676 . . . . 0.0 114.268 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -101.28 153.58 19.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.815 1.246 . . . . 0.0 112.222 -169.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -132.35 106.46 7.91 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.606 1.562 . . . . 0.0 109.459 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -128.19 155.08 45.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -168.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.23 125.13 28.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.113 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.05 -5.85 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.77 -38.54 11.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.044 0.938 . . . . 0.0 113.431 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.1 p -120.05 -0.48 10.56 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 55.54 31.61 17.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.4 1.88 . . . . 0.0 114.237 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -110.85 173.85 6.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.366 1.467 . . . . 0.0 110.224 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.79 133.85 36.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.967 0.507 . . . . 0.0 111.082 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -56.69 133.75 54.19 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.347 1.059 . . . . 0.0 113.45 -169.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 CA--C 1.545 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 114.101 -173.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.25 153.13 39.74 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.79 1.236 . . . . 0.0 112.3 173.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -72.68 135.9 24.69 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.455 2.77 . . . . 0.0 111.452 170.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 7.3 t -58.04 133.33 83.87 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.486 1.514 . . . . 0.0 111.922 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.0 -12.07 33.4 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.058 3.172 . . . . 0.0 113.524 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -92.87 -49.67 5.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.565 1.146 . . . . 0.0 113.722 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.59 0.77 4.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -167.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.94 14.01 6.04 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.372 1.869 . . . . 0.0 115.239 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.0 t -59.53 143.52 85.99 Favored Pre-proline 0 CA--C 1.543 0.68 0 O-C-N 121.21 -0.932 . . . . 0.0 111.096 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.76 90.12 0.42 Allowed 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.802 3.002 . . . . 0.0 110.464 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -72.43 148.45 45.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.199 1.8 . . . . 0.0 112.451 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -58.22 104.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.848 1.659 . . . . 0.0 108.999 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.84 130.11 35.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.629 0.772 . . . . 0.0 110.98 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.78 66.1 74.44 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.881 1.272 . . . . 0.0 110.656 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.79 -20.81 64.98 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 124.121 3.214 . . . . 0.0 114.435 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -71.7 -24.0 61.74 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.315 1.446 . . . . 0.0 113.311 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.54 -6.79 17.82 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.504 1.922 . . . . 0.0 113.26 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 52.49 39.2 27.39 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.792 2.037 . . . . 0.0 112.975 -168.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -119.35 149.27 42.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.857 1.663 . . . . 0.0 110.893 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.28 131.71 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.41 123.96 45.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.293 1.037 . . . . 0.0 111.859 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.1 t -58.8 140.68 54.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.92 0.867 . . . . 0.0 112.779 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.2 m -87.77 -6.02 58.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.304 1.441 . . . . 0.0 113.226 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -93.97 120.48 34.28 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.749 1.62 . . . . 0.0 110.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.85 -30.33 68.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.87 59.12 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.45 -56.69 3.21 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.267 1.827 . . . . 0.0 111.054 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.36 54.7 22.77 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.734 1.635 . . . . 0.0 113.99 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.402 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -102.02 153.95 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.789 1.236 . . . . 0.0 112.109 -169.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -130.96 106.65 8.55 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.614 1.565 . . . . 0.0 109.183 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -126.11 154.43 43.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.7 t -78.14 123.79 27.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.329 1.452 . . . . 0.0 109.48 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.29 -4.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.35 -32.87 11.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.89 1.276 . . . . 0.0 113.296 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.84 -0.03 7.33 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.1 mt 56.34 29.51 15.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.277 1.831 . . . . 0.0 114.602 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 77.8 m -104.2 174.21 5.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.724 1.61 . . . . 0.0 110.376 170.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.35 38.76 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.853 -0.529 . . . . 0.0 110.851 172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -58.88 132.22 53.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.323 1.049 . . . . 0.0 113.036 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 124.699 1.2 . . . . 0.0 114.065 -171.494 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -77.21 149.0 78.82 Favored Pre-proline 0 N--CA 1.472 0.672 0 O-C-N 121.939 -0.476 . . . . 0.0 112.112 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.54 136.86 29.3 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.06 2.507 . . . . 0.0 111.153 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 9.9 t -56.4 131.26 76.3 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.784 1.634 . . . . 0.0 111.676 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.02 -9.21 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.099 3.199 . . . . 0.0 113.465 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -99.71 -46.72 5.33 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.751 1.22 . . . . 0.0 113.786 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.2 p -127.66 -1.37 6.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 61.31 13.39 4.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.281 1.832 . . . . 0.0 114.679 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -65.21 148.37 97.96 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 123.907 0.883 . . . . 0.0 110.687 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.06 113.6 2.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 109.795 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.76 148.92 26.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.576 1.151 . . . . 0.0 111.323 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -63.42 105.69 0.8 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.603 1.161 . . . . 0.0 108.31 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -83.84 133.1 34.76 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.8 0.84 . . . . 0.0 111.006 -172.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.75 69.05 75.8 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.143 1.377 . . . . 0.0 109.865 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.29 -26.84 77.5 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.527 2.818 . . . . 0.0 113.644 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -70.13 -19.56 63.22 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.811 1.644 . . . . 0.0 113.953 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -116.17 1.79 13.23 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.512 1.925 . . . . 0.0 113.268 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.2 mttp 44.4 42.29 5.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.23 2.212 . . . . 0.0 113.377 -169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -123.21 150.47 43.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.763 1.625 . . . . 0.0 111.007 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.55 131.18 5.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -117.47 119.55 35.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.352 1.061 . . . . 0.0 111.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.4 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 25.7 t -58.36 135.0 57.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.211 0.604 . . . . 0.0 112.2 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.1 t -82.01 -11.25 58.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.987 0.915 . . . . 0.0 113.207 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -84.93 117.93 24.23 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.982 1.313 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.68 -23.74 64.43 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.4 -9.71 58.81 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.492 1.117 . . . . 0.0 113.874 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.0 t -115.52 -63.93 1.39 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.744 2.018 . . . . 0.0 111.148 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.07 47.77 65.62 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.12 1.343 . . . . 0.0 114.289 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 40.4 t80 -94.87 150.53 20.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.938 1.295 . . . . 0.0 111.729 -170.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -125.82 106.1 9.43 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.62 1.568 . . . . 0.0 109.915 -172.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -127.83 155.54 43.94 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -168.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.3 t -77.21 124.82 28.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.174 1.789 . . . . 0.0 110.248 170.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.72 -3.34 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 46.9 mt -95.28 -37.6 10.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.049 0.94 . . . . 0.0 113.313 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.6 -4.77 9.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.3 mt 58.69 30.48 20.0 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.022 1.729 . . . . 0.0 114.499 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 95.5 m -106.73 174.28 5.96 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.126 1.37 . . . . 0.0 110.222 169.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.06 135.9 36.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.983 0.513 . . . . 0.0 111.119 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 81.1 t80 -57.28 133.13 54.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.201 1.001 . . . . 0.0 113.334 -169.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.3 p80 . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 124.907 1.283 . . . . 0.0 113.88 -175.32 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 122.171 0.986 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 571' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 582' ' ' TYR . 32.1 mttm -79.63 148.47 69.53 Favored Pre-proline 0 N--CA 1.471 0.616 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.235 -171.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.893 2.395 . . . . 0.0 110.919 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 12.4 t -52.79 130.89 47.57 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.863 1.665 . . . . 0.0 111.756 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -69.55 -6.81 19.39 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 113.492 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -96.19 -51.53 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.859 1.263 . . . . 0.0 113.871 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.8 p -123.43 -1.47 8.59 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 61.64 13.79 5.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.869 2.067 . . . . 0.0 114.832 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.47 149.23 98.23 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.585 1.154 . . . . 0.0 111.434 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 104.7 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.056 2.504 . . . . 0.0 110.263 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.91 150.55 32.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.54 110.0 1.84 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.489 1.116 . . . . 0.0 108.928 172.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' TYR . . . . . 0.413 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 10.6 t80 -85.74 134.57 33.95 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.816 0.846 . . . . 0.0 111.412 -172.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.69 70.58 77.14 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.264 1.426 . . . . 0.0 109.756 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -62.05 -27.95 79.78 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.583 2.855 . . . . 0.0 113.473 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -69.68 -16.32 63.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.748 1.619 . . . . 0.0 114.059 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.86 2.08 10.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.49 1.916 . . . . 0.0 113.498 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 45.01 41.41 5.36 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.602 1.961 . . . . 0.0 113.139 -169.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -124.94 150.6 46.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.633 1.573 . . . . 0.0 111.167 -171.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.18 131.96 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.38 124.27 47.31 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.542 1.137 . . . . 0.0 111.991 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.422 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.6 t -60.83 143.93 53.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -175.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.1 t -83.27 -21.37 33.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.003 1.321 . . . . 0.0 112.892 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -82.2 118.44 23.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.093 1.357 . . . . 0.0 110.728 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.23 -28.56 67.34 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.89 -18.43 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.21 -58.34 2.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.453 1.901 . . . . 0.0 111.52 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.14 55.88 14.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.13 1.824 . . . . 0.0 113.992 170.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.422 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.9 t80 -103.54 154.32 19.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.808 1.243 . . . . 0.0 112.419 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -133.19 105.79 7.21 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.709 1.604 . . . . 0.0 109.238 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -127.37 155.45 43.58 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -76.46 123.23 25.7 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.672 1.589 . . . . 0.0 110.011 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.44 -7.59 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -91.81 -38.21 12.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.91 0.884 . . . . 0.0 113.209 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.48 0.37 8.24 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.79 33.41 23.19 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.579 1.951 . . . . 0.0 115.038 170.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.71 174.57 5.86 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.038 1.335 . . . . 0.0 110.277 169.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.19 134.44 33.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.109 0.564 . . . . 0.0 111.136 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.45 130.22 43.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.282 1.033 . . . . 0.0 112.916 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -170.123 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -88.67 149.4 43.96 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 123.407 0.683 . . . . 0.0 112.236 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -70.69 136.35 30.33 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.193 2.595 . . . . 0.0 111.237 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 33.0 t -57.03 130.66 79.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.501 1.52 . . . . 0.0 111.888 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.05 -10.5 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.908 3.072 . . . . 0.0 113.483 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.88 -50.42 5.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.608 1.163 . . . . 0.0 113.857 172.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.84 0.87 6.02 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 61.35 10.58 3.17 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.084 2.153 . . . . 0.0 116.13 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 2.9 m -73.45 152.03 89.74 Favored Pre-proline 0 N--CA 1.474 0.726 0 O-C-N 121.091 -1.006 . . . . 0.0 110.686 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.11 111.35 1.74 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.2 2.6 . . . . 0.0 110.414 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -80.24 149.24 30.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.253 1.421 . . . . 0.0 111.033 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -63.48 110.28 1.91 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.073 0.949 . . . . 0.0 108.793 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -86.75 135.13 33.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.862 0.865 . . . . 0.0 111.156 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -128.47 69.93 79.32 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.229 1.411 . . . . 0.0 109.737 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.38 -26.9 77.06 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.466 2.777 . . . . 0.0 113.481 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -70.0 -17.24 63.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.734 1.614 . . . . 0.0 114.045 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.91 2.5 11.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.539 1.936 . . . . 0.0 113.392 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.95 41.37 5.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.901 2.081 . . . . 0.0 113.317 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -124.08 151.75 43.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.793 1.637 . . . . 0.0 111.357 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.67 133.47 5.76 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -119.88 123.13 42.85 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.631 1.172 . . . . 0.0 112.468 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.2 t -60.33 143.08 53.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.2 t -81.2 -23.74 37.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.827 1.251 . . . . 0.0 112.829 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -80.12 120.05 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.571 1.149 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.66 -30.4 69.93 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.09 -18.04 60.34 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.03 -58.5 2.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.415 1.886 . . . . 0.0 111.086 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.85 52.5 30.02 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.884 1.707 . . . . 0.0 113.956 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -99.35 153.63 18.82 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.688 1.195 . . . . 0.0 112.303 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -133.34 106.86 7.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.717 1.607 . . . . 0.0 109.485 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -128.69 154.82 45.92 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -168.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.0 t -76.39 124.83 28.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.863 1.665 . . . . 0.0 109.994 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.0 m -79.6 -2.48 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.2 mt -96.67 -38.35 9.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.218 1.007 . . . . 0.0 113.29 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.64 -0.52 10.78 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.8 mt 55.22 32.36 18.37 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.371 1.869 . . . . 0.0 114.147 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.1 m -112.68 173.83 6.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.266 1.427 . . . . 0.0 110.106 172.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.68 133.68 36.42 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.06 0.544 . . . . 0.0 111.183 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -56.18 133.37 52.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.367 1.067 . . . . 0.0 113.514 -169.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 124.802 1.241 . . . . 0.0 114.063 -174.534 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.43 150.89 39.7 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 124.18 0.992 . . . . 0.0 112.068 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.93 136.61 27.81 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.09 2.527 . . . . 0.0 111.617 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.0 t -56.96 130.69 79.42 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.702 1.601 . . . . 0.0 111.724 171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.87 -10.92 29.62 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.986 3.124 . . . . 0.0 113.528 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -93.34 -49.15 6.08 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.59 1.156 . . . . 0.0 113.638 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 8.1 p -129.99 0.77 4.77 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -167.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 62.78 13.71 6.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.705 2.002 . . . . 0.0 115.435 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 53.6 m -61.52 148.32 86.51 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 121.282 -0.886 . . . . 0.0 111.329 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -65.78 103.14 0.56 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.748 2.299 . . . . 0.0 109.812 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -79.24 145.4 33.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.473 1.109 . . . . 0.0 111.165 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -62.66 109.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.145 0.978 . . . . 0.0 109.081 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.22 135.42 33.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.976 0.91 . . . . 0.0 111.402 -171.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -129.01 70.23 81.45 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 125.218 1.407 . . . . 0.0 109.479 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.15 -28.07 79.35 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.508 2.805 . . . . 0.0 113.561 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -69.74 -18.53 63.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.941 1.696 . . . . 0.0 113.921 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.84 2.07 12.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.524 1.93 . . . . 0.0 113.247 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 43.93 42.68 4.8 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.081 2.152 . . . . 0.0 113.482 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -123.65 150.35 44.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.654 1.582 . . . . 0.0 111.309 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.31 133.07 5.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.11 0.862 . . . . 0.0 110.998 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.92 123.1 43.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.537 1.135 . . . . 0.0 112.307 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 31.4 t -60.44 145.34 48.55 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -89.26 -13.33 38.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.022 1.329 . . . . 0.0 113.353 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -87.77 119.47 28.13 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.0 -26.42 65.01 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -172.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.37 -10.54 59.51 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.417 1.087 . . . . 0.0 113.879 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.8 t -108.74 -59.74 1.84 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.806 2.042 . . . . 0.0 111.316 -175.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.9 56.05 15.67 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.879 1.704 . . . . 0.0 114.272 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.419 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.1 t80 -102.87 153.64 20.0 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.83 1.252 . . . . 0.0 112.36 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -132.27 105.65 7.45 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.71 1.604 . . . . 0.0 109.239 -173.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.11 155.46 43.29 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -168.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.23 124.27 27.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.265 1.826 . . . . 0.0 110.221 169.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.3 m -79.71 -1.74 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -174.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.2 mt -97.05 -37.36 10.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.282 1.033 . . . . 0.0 113.422 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.99 -2.09 9.77 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.8 mt 56.36 30.73 17.4 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.177 1.791 . . . . 0.0 114.153 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -107.87 173.75 6.18 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.462 1.505 . . . . 0.0 110.361 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.22 135.18 38.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.835 -0.54 . . . . 0.0 111.189 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.79 134.54 55.16 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.413 1.085 . . . . 0.0 113.92 -169.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.5 p80 . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 125.136 1.375 . . . . 0.0 113.775 -176.665 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.49 150.36 56.78 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 123.007 0.523 . . . . 0.0 112.241 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.06 132.04 20.52 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.187 2.592 . . . . 0.0 110.951 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 15.5 t -55.16 131.61 68.79 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.954 1.702 . . . . 0.0 111.754 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.24 -9.13 25.48 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.842 3.028 . . . . 0.0 113.369 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.71 -51.33 4.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 113.824 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.9 p -123.78 -1.57 8.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -168.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 61.38 13.39 4.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.777 2.031 . . . . 0.0 114.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.5 97.8 Favored Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.521 1.129 . . . . 0.0 111.223 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.94 106.89 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.857 2.371 . . . . 0.0 110.312 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.47 147.54 27.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.942 1.297 . . . . 0.0 111.414 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.52 107.47 0.8 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.837 1.255 . . . . 0.0 109.135 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.12 133.67 33.86 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.825 0.85 . . . . 0.0 111.493 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -128.29 69.62 78.41 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.259 1.424 . . . . 0.0 109.812 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.09 -25.53 77.44 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.0 3.134 . . . . 0.0 114.28 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.76 -22.54 59.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.175 1.79 . . . . 0.0 113.783 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -110.98 0.82 17.14 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.459 1.904 . . . . 0.0 113.296 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.78 40.09 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.146 2.179 . . . . 0.0 113.567 -170.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 64.6 ttt180 -121.55 150.2 42.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.562 1.545 . . . . 0.0 111.143 -172.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.2 132.44 5.34 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 48.3 mt -118.82 123.19 44.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 112.3 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 20.9 t -61.35 144.08 54.61 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.8 t -84.67 -21.04 30.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.06 1.344 . . . . 0.0 112.891 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -81.94 118.48 22.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.1 1.36 . . . . 0.0 110.814 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.8 -29.14 68.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.58 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.4 t -96.41 -58.35 2.09 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.402 1.881 . . . . 0.0 111.525 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.16 59.84 6.64 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.206 1.86 . . . . 0.0 113.995 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.42 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.4 t80 -107.53 152.97 23.53 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.873 1.269 . . . . 0.0 112.197 -169.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -132.4 106.36 7.84 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.824 1.65 . . . . 0.0 109.103 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -127.13 154.78 44.31 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.94 123.05 25.75 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.583 1.553 . . . . 0.0 109.575 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.64 -3.64 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.91 -32.63 11.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 113.126 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -124.98 -1.31 7.81 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.07 30.9 17.1 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.288 1.835 . . . . 0.0 114.359 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.07 173.66 6.23 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.596 1.558 . . . . 0.0 110.281 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.0 38.63 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.981 -0.449 . . . . 0.0 110.906 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 77.6 t80 -57.04 134.23 55.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.258 1.023 . . . . 0.0 113.52 -169.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.4 p80 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.768 1.227 . . . . 0.0 114.036 -174.648 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.16 151.2 37.31 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 124.349 1.059 . . . . 0.0 112.309 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.43 137.09 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.326 2.684 . . . . 0.0 111.558 174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 31.4 t -57.86 130.49 82.54 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.514 1.525 . . . . 0.0 111.727 170.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.92 -9.77 27.26 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 123.876 3.051 . . . . 0.0 113.509 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -94.42 -50.88 5.02 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.745 1.218 . . . . 0.0 113.829 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.61 0.75 6.83 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -167.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 62.04 10.26 3.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.94 2.096 . . . . 0.0 116.033 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.7 m -72.11 152.62 92.65 Favored Pre-proline 0 N--CA 1.474 0.736 0 O-C-N 121.105 -0.997 . . . . 0.0 111.308 169.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.44 110.77 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.386 2.724 . . . . 0.0 110.441 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.47 149.86 28.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 111.189 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.12 107.17 0.98 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.62 1.168 . . . . 0.0 108.866 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -84.59 135.23 34.28 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.97 0.908 . . . . 0.0 111.17 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -128.59 70.69 80.35 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.135 1.374 . . . . 0.0 109.644 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -28.08 80.77 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.607 2.871 . . . . 0.0 113.516 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.24 -18.21 63.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 113.974 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.65 1.99 11.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.429 1.892 . . . . 0.0 113.319 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 44.27 42.71 5.39 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 113.268 -169.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -124.5 152.29 43.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.749 1.62 . . . . 0.0 111.099 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.42 133.59 5.86 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -119.27 123.99 45.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.464 1.106 . . . . 0.0 112.384 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 27.2 t -61.08 146.44 47.31 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.6 t -86.81 -21.62 26.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.373 1.469 . . . . 0.0 113.045 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -81.53 119.62 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.964 1.306 . . . . 0.0 110.728 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.31 -26.56 64.78 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.16 -8.09 56.93 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.542 1.137 . . . . 0.0 113.932 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.0 t -112.16 -59.75 1.95 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.939 2.096 . . . . 0.0 110.976 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.01 54.98 20.57 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.878 1.704 . . . . 0.0 113.745 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 18.1 t80 -101.32 153.91 19.24 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.905 1.282 . . . . 0.0 112.542 -168.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -133.52 106.65 7.56 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.751 1.62 . . . . 0.0 109.212 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.57 155.08 45.48 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -168.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 34.9 t -76.45 124.79 28.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.818 1.647 . . . . 0.0 110.046 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -79.26 -5.8 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 48.5 mt -93.94 -38.13 11.34 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.997 0.919 . . . . 0.0 113.265 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 23.3 p -122.55 1.15 9.49 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.5 mt 55.37 33.52 21.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.845 2.058 . . . . 0.0 114.603 171.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.8 m -115.4 175.58 5.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.284 1.434 . . . . 0.0 110.268 170.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.93 133.41 32.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.214 0.606 . . . . 0.0 111.286 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -56.76 133.88 54.52 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.528 1.131 . . . . 0.0 113.458 -169.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.0 p80 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.552 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -88.9 151.2 46.94 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.635 0.774 . . . . 0.0 112.243 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.43 136.46 26.29 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.243 2.629 . . . . 0.0 111.445 170.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.69 132.55 82.55 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.048 1.739 . . . . 0.0 112.055 172.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.0 -10.64 28.84 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.854 3.036 . . . . 0.0 113.548 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -92.19 -50.68 5.54 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.536 1.135 . . . . 0.0 113.7 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.67 -2.61 7.29 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -168.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 61.21 14.38 5.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.346 1.858 . . . . 0.0 114.606 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -64.94 149.12 97.05 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 121.352 -0.842 . . . . 0.0 110.806 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.07 109.46 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.83 2.353 . . . . 0.0 110.084 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -85.76 145.35 27.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.72 108.64 1.03 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.153 . . . . 0.0 108.882 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.92 132.83 34.08 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.831 0.852 . . . . 0.0 111.411 -169.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -128.01 68.41 75.76 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.394 1.478 . . . . 0.0 109.9 -176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.69 -24.36 74.81 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.888 3.059 . . . . 0.0 114.251 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -73.37 -22.35 60.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.728 . . . . 0.0 113.646 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.9 1.46 17.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.605 1.962 . . . . 0.0 113.199 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 45.46 39.65 4.84 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.252 2.221 . . . . 0.0 113.649 -169.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -121.04 150.17 41.58 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.537 1.535 . . . . 0.0 111.29 -172.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.7 133.75 6.07 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 173.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.81 122.03 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.449 1.1 . . . . 0.0 112.291 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.8 t -61.02 140.2 57.89 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.602 0.715 . . . . 0.0 112.66 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.0 t -81.69 -21.22 38.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.694 1.198 . . . . 0.0 112.854 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.94 119.22 23.68 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.046 1.338 . . . . 0.0 110.905 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.82 -25.44 64.67 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.92 -10.2 59.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.499 1.12 . . . . 0.0 113.812 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.14 -59.55 1.98 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.664 1.985 . . . . 0.0 111.428 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.86 55.44 18.05 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.978 1.751 . . . . 0.0 114.13 170.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.409 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.5 t80 -103.22 152.38 21.55 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 112.069 -169.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -131.1 105.97 8.06 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.587 1.555 . . . . 0.0 109.163 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -126.99 154.58 44.42 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -168.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 38.9 t -77.03 122.9 25.58 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.979 1.712 . . . . 0.0 109.499 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.23 -3.33 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.34 -32.22 11.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.882 1.273 . . . . 0.0 113.101 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.6 -1.82 7.96 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 92.8 mt 56.2 31.45 18.4 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.235 1.814 . . . . 0.0 114.064 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 81.7 m -108.66 173.29 6.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.683 1.593 . . . . 0.0 110.311 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.37 134.98 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.845 -0.534 . . . . 0.0 111.027 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.35 134.49 56.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 113.632 -169.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.9 p80 . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 124.955 1.302 . . . . 0.0 113.879 -175.474 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -101.74 151.56 37.94 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 124.117 0.967 . . . . 0.0 112.39 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.07 136.96 28.13 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.292 2.661 . . . . 0.0 111.245 171.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.3 131.65 81.02 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 0.0 111.715 170.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.29 -9.31 21.57 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.574 3.516 . . . . 0.0 113.795 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -104.78 -46.32 4.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 0.0 113.994 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -124.99 -1.36 7.8 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.15 13.51 4.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.355 1.862 . . . . 0.0 114.742 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 46.5 m -65.14 149.03 97.46 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 111.004 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.28 110.6 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.138 2.559 . . . . 0.0 109.918 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -84.54 146.36 27.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.756 1.223 . . . . 0.0 111.447 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -62.28 107.83 0.98 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.735 1.214 . . . . 0.0 108.695 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -86.51 132.81 33.82 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 -171.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -125.77 69.59 64.44 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.931 1.292 . . . . 0.0 110.008 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.18 -25.63 77.18 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 124.056 3.171 . . . . 0.0 114.369 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.6 -23.67 59.96 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.061 1.744 . . . . 0.0 113.705 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.24 -8.63 15.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.119 1.768 . . . . 0.0 113.586 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 53.79 40.99 32.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.485 1.914 . . . . 0.0 113.045 -169.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -120.34 148.89 43.16 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.842 1.657 . . . . 0.0 110.777 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.93 130.69 4.79 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 44.8 mt -118.64 120.52 37.7 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.224 1.01 . . . . 0.0 112.074 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.5 t -59.44 134.96 57.49 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 112.169 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.2 t -78.92 -20.8 48.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 112.819 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -77.28 117.62 18.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.04 1.336 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.91 -23.75 64.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.95 -10.17 59.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.432 1.093 . . . . 0.0 113.804 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.8 -63.47 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.817 2.047 . . . . 0.0 111.083 -175.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.87 46.53 68.08 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.31 1.433 . . . . 0.0 114.093 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.8 t80 -93.65 149.71 21.01 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.883 1.273 . . . . 0.0 111.812 -169.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -123.91 106.25 10.28 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.69 1.596 . . . . 0.0 109.872 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -127.42 154.95 44.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.91 122.88 25.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.39 1.476 . . . . 0.0 109.66 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.35 -10.22 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -175.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -93.66 -32.27 14.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.663 1.185 . . . . 0.0 112.985 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.65 2.0 4.48 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.78 30.43 18.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 115.159 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.8 m -106.52 174.52 5.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.417 1.487 . . . . 0.0 110.495 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.64 135.45 34.7 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.88 -0.513 . . . . 0.0 110.958 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.92 130.48 47.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.193 0.997 . . . . 0.0 112.714 -169.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.5 p80 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -170.032 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -102.5 151.76 38.26 Favored Pre-proline 0 N--CA 1.474 0.733 0 C-N-CA 124.573 1.149 . . . . 0.0 112.135 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.7 136.03 27.2 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.191 2.594 . . . . 0.0 111.313 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.6 t -57.62 131.54 82.12 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.619 1.568 . . . . 0.0 111.428 170.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.8 -8.45 19.67 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.437 3.424 . . . . 0.0 113.933 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -105.43 -45.56 4.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.918 1.287 . . . . 0.0 114.147 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.6 p -123.97 -2.8 8.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 60.95 14.06 5.01 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.224 1.81 . . . . 0.0 114.662 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 m -65.29 150.13 96.09 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.874 0.87 . . . . 0.0 110.877 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.3 107.99 0.91 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.929 2.419 . . . . 0.0 109.992 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.16 30.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.781 1.232 . . . . 0.0 110.905 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.54 110.42 1.69 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.245 1.018 . . . . 0.0 108.803 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.076 0.95 . . . . 0.0 111.158 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.14 70.87 78.98 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.154 1.382 . . . . 0.0 109.843 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.8 -27.76 80.92 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.546 2.83 . . . . 0.0 113.621 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -70.69 -18.26 62.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.937 1.695 . . . . 0.0 114.012 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.38 1.27 11.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.41 1.884 . . . . 0.0 113.437 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 44.95 42.39 6.21 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.949 2.099 . . . . 0.0 113.309 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.6 ttt180 -124.22 150.93 44.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.573 1.549 . . . . 0.0 111.043 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.87 131.84 5.12 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 38.5 mt -119.06 122.17 41.52 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 112.168 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.7 t -60.53 137.83 58.11 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.466 0.651 . . . . 0.0 112.411 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 18.0 t -79.77 -21.65 44.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.498 1.119 . . . . 0.0 112.895 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -77.88 118.61 20.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.91 1.284 . . . . 0.0 110.712 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.85 -26.58 66.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.6 -15.35 60.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 0.0 113.782 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 48.5 t -105.65 -62.09 1.41 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.607 1.963 . . . . 0.0 111.047 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.78 48.81 60.58 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.431 1.491 . . . . 0.0 114.226 169.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 26.3 t80 -97.54 153.49 18.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.713 1.205 . . . . 0.0 112.105 -169.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -130.65 106.33 8.41 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.8 1.64 . . . . 0.0 109.93 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.17 155.43 44.48 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.16 125.03 28.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.158 1.783 . . . . 0.0 110.103 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.0 m -78.91 -6.44 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.3 -37.3 12.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.108 0.963 . . . . 0.0 113.444 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -121.82 -2.02 9.35 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.0 mt 56.23 30.33 16.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.116 1.766 . . . . 0.0 114.237 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.3 m -106.72 172.88 6.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.36 1.464 . . . . 0.0 110.3 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.23 134.83 39.09 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 82.0 t80 -57.0 130.99 48.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.981 0.912 . . . . 0.0 113.024 -169.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.9 p80 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.105 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -93.15 150.27 38.88 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 123.601 0.761 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -72.18 138.78 31.23 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.088 2.525 . . . . 0.0 111.422 171.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.23 131.97 84.33 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.574 1.55 . . . . 0.0 111.807 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.79 -9.89 24.62 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.511 3.474 . . . . 0.0 113.879 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -104.6 -45.21 4.68 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.865 1.266 . . . . 0.0 114.005 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.69 -1.85 7.32 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.94 13.92 4.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.129 1.772 . . . . 0.0 114.61 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 148.87 97.59 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 123.939 0.896 . . . . 0.0 110.775 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.29 110.54 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.864 2.376 . . . . 0.0 109.814 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.09 146.26 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.545 1.138 . . . . 0.0 111.214 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.32 106.88 0.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.637 1.175 . . . . 0.0 108.582 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -85.6 133.46 34.05 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.97 0.908 . . . . 0.0 110.954 -172.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -126.51 68.89 68.8 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.82 1.248 . . . . 0.0 110.014 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.34 -25.85 76.66 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.767 2.978 . . . . 0.0 113.924 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -71.08 -20.03 62.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.751 1.62 . . . . 0.0 113.817 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.01 -7.03 12.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.271 1.828 . . . . 0.0 113.585 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 56.4 mttp 51.83 44.34 29.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.529 1.932 . . . . 0.0 112.866 -169.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -121.91 150.63 41.72 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.49 130.76 4.9 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -118.32 120.76 38.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.341 1.056 . . . . 0.0 112.162 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.5 t -59.1 136.84 58.08 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.142 0.577 . . . . 0.0 112.231 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -84.57 -10.49 57.35 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.073 0.949 . . . . 0.0 113.22 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -85.17 119.78 25.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.876 1.271 . . . . 0.0 110.549 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.32 -25.04 64.92 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 -173.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.09 -8.68 57.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.512 1.125 . . . . 0.0 113.943 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 46.8 t -116.49 -64.1 1.36 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.584 1.953 . . . . 0.0 111.175 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.82 47.18 66.1 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.208 1.385 . . . . 0.0 114.271 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.1 t80 -94.49 151.64 19.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.042 1.337 . . . . 0.0 112.028 -169.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -126.38 106.07 9.23 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.582 1.553 . . . . 0.0 109.979 -173.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -127.78 155.78 43.5 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -169.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.26 126.03 30.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.021 1.728 . . . . 0.0 110.344 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.85 -3.48 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -174.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.7 mt -97.55 -36.92 10.15 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.134 0.974 . . . . 0.0 113.452 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -121.62 -1.5 9.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.2 mt 56.54 28.41 13.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.148 1.779 . . . . 0.0 114.395 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -104.43 174.39 5.89 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.54 1.536 . . . . 0.0 110.367 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.09 38.48 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.873 -0.517 . . . . 0.0 111.091 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -58.67 132.16 53.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.307 1.043 . . . . 0.0 113.281 -169.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.0 p80 . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 124.922 1.289 . . . . 0.0 114.107 -174.343 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -99.13 148.53 34.73 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 112.248 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.33 135.07 26.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.963 2.442 . . . . 0.0 111.183 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.91 132.77 79.59 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.353 1.461 . . . . 0.0 111.912 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 -11.25 31.44 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.102 3.202 . . . . 0.0 113.587 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -94.63 -47.54 6.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.623 1.169 . . . . 0.0 113.939 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -133.38 2.6 3.55 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -168.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 61.71 13.13 5.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.406 1.882 . . . . 0.0 115.445 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.9 t -60.48 143.89 89.26 Favored Pre-proline 0 CA--C 1.543 0.685 0 O-C-N 121.205 -0.934 . . . . 0.0 111.032 169.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.89 88.83 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.736 2.957 . . . . 0.0 110.487 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.18 149.11 50.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.806 1.643 . . . . 0.0 112.107 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.61 107.44 0.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.691 1.196 . . . . 0.0 109.36 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -86.09 134.08 33.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.981 0.912 . . . . 0.0 111.097 -172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.74 71.52 77.97 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 109.842 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.89 -28.41 81.14 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.61 2.874 . . . . 0.0 113.516 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.41 -17.68 63.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.932 1.693 . . . . 0.0 114.046 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.9 1.25 11.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.389 1.876 . . . . 0.0 113.451 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.3 mttp 45.02 42.33 6.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.811 2.045 . . . . 0.0 113.131 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.4 ttt180 -124.46 150.4 45.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.561 1.544 . . . . 0.0 110.98 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.02 130.63 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 37.8 mt -116.95 123.28 46.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.343 1.057 . . . . 0.0 111.691 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.9 t -58.04 140.97 51.37 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.969 0.89 . . . . 0.0 113.02 -173.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.4 m -89.87 -5.84 56.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.317 1.447 . . . . 0.0 113.23 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -91.05 119.53 31.28 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.424 1.49 . . . . 0.0 110.398 171.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.49 -29.35 68.76 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.51 59.68 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.7 t -97.07 -60.38 1.6 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.296 1.838 . . . . 0.0 111.253 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.64 53.02 34.62 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.224 1.392 . . . . 0.0 114.072 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.403 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 35.3 t80 -99.34 156.78 16.82 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 111.917 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -131.67 106.02 7.89 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.542 1.537 . . . . 0.0 109.858 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -127.02 154.75 44.24 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.74 124.64 27.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.056 1.743 . . . . 0.0 109.955 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.2 m -79.56 -4.28 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 mt -93.51 -36.77 12.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.126 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.8 1.28 7.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.22 31.23 18.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.238 1.815 . . . . 0.0 114.402 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 76.3 m -108.87 173.38 6.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.333 1.453 . . . . 0.0 110.317 171.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.14 135.01 38.52 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.939 -0.475 . . . . 0.0 110.967 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.401 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 83.1 t80 -57.27 131.31 49.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.17 0.988 . . . . 0.0 112.997 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -171.768 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -104.33 151.32 39.09 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.996 1.318 . . . . 0.0 112.139 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.23 136.25 28.75 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.232 2.622 . . . . 0.0 111.546 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.79 131.72 82.77 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.987 1.315 . . . . 0.0 111.048 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.66 -5.85 14.04 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 124.188 3.259 . . . . 0.0 113.949 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -109.23 -44.7 3.88 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.133 1.373 . . . . 0.0 114.4 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.1 p -123.28 -1.31 8.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 61.34 14.07 5.43 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.41 1.884 . . . . 0.0 114.855 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 16.0 m -65.72 148.7 98.05 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 124.766 1.226 . . . . 0.0 111.274 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.2 93.35 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 110.418 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.41 151.57 43.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.48 1.512 . . . . 0.0 111.667 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.95 107.47 1.0 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.345 1.058 . . . . 0.0 109.442 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -82.48 135.63 35.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.899 0.879 . . . . 0.0 111.067 -175.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.35 70.86 79.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.25 1.42 . . . . 0.0 109.642 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.94 -29.29 81.92 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.54 2.827 . . . . 0.0 113.398 -174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -69.17 -16.97 63.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.972 1.709 . . . . 0.0 114.057 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.0 1.77 11.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.487 1.915 . . . . 0.0 113.392 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 45.44 41.15 6.31 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.516 1.926 . . . . 0.0 112.908 -169.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -126.08 151.37 47.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.516 1.526 . . . . 0.0 110.998 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.11 131.28 5.35 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.62 125.13 51.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.108 0.963 . . . . 0.0 111.506 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.6 140.95 55.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.087 0.946 . . . . 0.0 112.799 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.5 m -88.25 -8.08 55.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.494 1.517 . . . . 0.0 113.195 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -91.34 119.24 31.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.729 1.611 . . . . 0.0 110.279 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.59 -28.82 68.09 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.1 -18.11 59.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.68 -61.33 1.39 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.439 1.896 . . . . 0.0 111.175 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.51 49.82 55.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.202 1.382 . . . . 0.0 114.323 170.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -96.89 154.31 17.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.072 1.349 . . . . 0.0 112.046 -169.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -129.25 105.19 7.98 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.48 1.512 . . . . 0.0 109.66 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.41 154.53 43.48 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.8 t -77.31 126.19 30.53 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.076 1.751 . . . . 0.0 110.01 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -80.77 -4.15 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.21 -34.7 12.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.443 1.097 . . . . 0.0 112.997 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.98 -1.81 7.15 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.4 mt 56.47 30.43 17.09 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.138 1.775 . . . . 0.0 114.366 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.6 m -105.88 173.41 6.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.13 1.372 . . . . 0.0 110.395 170.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.24 135.01 39.06 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.931 0.493 . . . . 0.0 110.888 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.01 129.43 41.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.986 0.914 . . . . 0.0 112.663 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.0 p80 . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -171.11 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 149.23 43.79 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 125.208 1.403 . . . . 0.0 111.25 170.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.59 145.93 48.11 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.82 2.347 . . . . 0.0 112.198 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 4.6 t -60.7 130.93 90.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.62 0.768 . . . . 0.0 111.271 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.01 -11.93 32.2 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.866 3.711 . . . . 0.0 113.939 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -103.1 -43.78 5.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.837 1.255 . . . . 0.0 113.795 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 13.2 p -132.85 0.35 3.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 61.6 23.51 13.79 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.59 1.556 . . . . 0.0 114.568 174.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 p -60.49 156.44 42.51 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 111.614 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.69 68.72 4.54 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.929 3.086 . . . . 0.0 110.687 171.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -55.65 140.22 42.06 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.902 1.681 . . . . 0.0 112.527 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.42 107.22 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.139 1.376 . . . . 0.0 109.639 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.07 134.65 34.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.043 0.937 . . . . 0.0 111.106 -174.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -128.45 70.47 79.69 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.108 1.363 . . . . 0.0 109.769 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.98 -27.54 79.72 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.414 2.743 . . . . 0.0 113.47 -175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -70.1 -17.02 63.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.837 1.655 . . . . 0.0 114.048 173.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -119.71 2.24 11.11 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.416 1.886 . . . . 0.0 113.468 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 45.23 41.27 5.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.685 1.994 . . . . 0.0 113.238 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 69.2 ttt180 -124.59 151.15 45.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.714 1.606 . . . . 0.0 111.225 -171.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.51 133.08 5.92 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 173.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.64 124.37 47.25 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.267 1.027 . . . . 0.0 111.708 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -58.34 139.28 55.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.5 m -90.58 -2.34 57.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.126 1.37 . . . . 0.0 113.585 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -95.5 117.58 30.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.593 1.557 . . . . 0.0 110.166 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -25.74 65.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.84 60.3 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 26.6 t -109.19 -62.55 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.869 2.067 . . . . 0.0 110.939 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.51 52.72 43.16 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 113.97 170.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -98.32 156.84 16.53 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.365 1.466 . . . . 0.0 112.004 -169.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -130.1 106.33 8.54 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.749 1.62 . . . . 0.0 109.832 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.09 155.08 43.87 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -78.05 126.8 31.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.179 1.792 . . . . 0.0 110.327 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.4 m -81.6 -3.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.23 -35.62 11.76 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.15 0.98 . . . . 0.0 113.155 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.5 p -124.3 -1.89 8.1 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.5 mt 56.46 28.18 13.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.914 1.686 . . . . 0.0 114.227 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.76 174.14 6.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.508 1.523 . . . . 0.0 110.358 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -54.15 137.29 40.88 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.702 -0.623 . . . . 0.0 111.11 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.2 t80 -58.35 133.61 55.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.91 0.884 . . . . 0.0 113.36 -169.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.1 p80 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 124.875 1.27 . . . . 0.0 113.91 -175.565 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -104.28 150.56 38.54 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.656 1.183 . . . . 0.0 112.588 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -70.21 137.21 33.62 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.35 2.7 . . . . 0.0 111.474 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 28.7 t -56.34 130.24 75.3 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.301 1.44 . . . . 0.0 111.244 169.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.67 -8.57 23.65 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.76 2.973 . . . . 0.0 113.384 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -97.56 -50.42 4.5 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 113.939 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.8 p -124.13 0.68 8.48 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -169.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 61.41 10.95 3.42 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.31 2.244 . . . . 0.0 116.203 172.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.8 m -74.36 151.21 87.6 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 121.06 -1.025 . . . . 0.0 111.616 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -67.62 104.05 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.55 2.833 . . . . 0.0 110.769 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.87 154.22 29.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.034 1.734 . . . . 0.0 111.618 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.01 108.49 1.23 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.405 1.082 . . . . 0.0 109.43 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -87.77 134.23 33.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.906 0.883 . . . . 0.0 111.534 -172.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -128.53 69.2 78.98 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.309 1.443 . . . . 0.0 109.85 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.1 -25.85 77.67 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 124.069 3.179 . . . . 0.0 114.366 -173.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.35 -21.89 60.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.112 1.765 . . . . 0.0 113.731 174.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -111.03 0.55 16.99 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.463 1.905 . . . . 0.0 113.227 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.75 39.61 5.41 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.97 2.108 . . . . 0.0 113.495 -169.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -121.41 150.22 41.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.542 1.537 . . . . 0.0 111.024 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.34 133.54 6.2 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.8 mt -118.89 122.75 43.02 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.262 1.025 . . . . 0.0 111.822 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 37.2 t -57.37 141.39 47.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.192 0.996 . . . . 0.0 113.115 -174.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 46.7 p -84.35 -11.25 56.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.249 1.819 . . . . 0.0 113.787 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -95.11 119.14 33.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.945 1.698 . . . . 0.0 110.8 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.15 -26.56 65.84 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.9 -9.37 58.64 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.27 -59.97 1.9 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.936 2.094 . . . . 0.0 110.552 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.39 52.37 37.38 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.618 1.58 . . . . 0.0 113.971 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.3 t80 -97.27 149.33 22.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.985 1.314 . . . . 0.0 111.578 -169.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -125.33 105.68 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.481 1.512 . . . . 0.0 109.057 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.04 154.27 43.24 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -168.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.08 123.6 27.05 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.777 1.631 . . . . 0.0 109.607 169.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.34 -5.53 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.17 -31.62 12.89 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.689 1.196 . . . . 0.0 112.909 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.57 0.27 5.55 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.34 31.9 19.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.527 1.931 . . . . 0.0 114.693 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.9 m -106.46 174.04 6.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.394 1.478 . . . . 0.0 110.303 169.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.62 137.15 37.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.795 -0.566 . . . . 0.0 110.888 172.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.34 127.14 30.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.09 0.956 . . . . 0.0 111.972 -170.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.6 p80 . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -168.734 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -98.98 151.6 37.45 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 124.279 1.032 . . . . 0.0 112.025 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.99 132.32 21.14 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.252 2.634 . . . . 0.0 111.082 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.39 130.92 70.1 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.572 1.549 . . . . 0.0 111.601 171.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.78 -7.88 22.18 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.681 2.921 . . . . 0.0 113.577 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -95.2 -51.52 4.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.891 1.277 . . . . 0.0 113.814 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 19.6 p -123.0 -1.62 8.8 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -168.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.43 13.54 5.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.802 2.041 . . . . 0.0 114.843 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.71 97.61 Favored Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.609 1.164 . . . . 0.0 111.316 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.96 105.26 0.79 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.06 2.507 . . . . 0.0 110.155 173.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.35 149.61 27.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.841 1.256 . . . . 0.0 111.648 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 108.53 1.28 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.777 1.231 . . . . 0.0 109.225 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.9 135.97 34.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.88 0.872 . . . . 0.0 111.262 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -127.51 70.55 76.49 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.772 1.229 . . . . 0.0 109.958 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -62.57 -25.77 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.677 2.918 . . . . 0.0 113.926 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -71.94 -18.85 61.98 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.819 1.647 . . . . 0.0 113.908 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -117.37 -7.88 11.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.169 1.788 . . . . 0.0 113.827 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 51.57 46.32 26.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.361 1.864 . . . . 0.0 112.71 -169.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -124.04 150.73 44.58 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.136 1.774 . . . . 0.0 110.724 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.76 130.54 4.76 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.0 0.809 . . . . 0.0 111.104 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 46.6 mt -119.22 124.67 47.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.421 1.088 . . . . 0.0 112.351 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 591' ' ' CYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.8 t -61.09 145.39 51.07 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.09 -12.48 41.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.039 1.336 . . . . 0.0 113.276 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -88.53 119.16 28.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 110.634 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.67 -29.34 68.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.56 -18.36 58.71 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 40.5 t -97.03 -58.38 2.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.407 1.883 . . . . 0.0 111.643 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.65 57.23 9.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.123 1.82 . . . . 0.0 114.174 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' PHE . . . . . 0.421 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.2 t80 -104.44 154.12 20.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.728 1.211 . . . . 0.0 112.249 -169.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -132.72 106.51 7.81 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -126.81 155.33 43.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -168.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.6 t -77.38 124.56 28.04 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.626 1.57 . . . . 0.0 110.023 169.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.47 -5.57 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.51 -38.01 9.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.054 . . . . 0.0 113.573 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.4 p -119.71 -0.54 10.73 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.6 mt 55.37 30.88 15.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.43 1.892 . . . . 0.0 114.472 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.0 m -108.78 174.76 5.73 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.528 1.531 . . . . 0.0 110.238 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.76 134.17 36.65 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.938 -0.476 . . . . 0.0 111.109 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.12 131.65 51.16 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.502 1.121 . . . . 0.0 113.094 -169.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 124.915 1.286 . . . . 0.0 113.999 -172.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.76 153.53 52.43 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.573 1.549 . . . . 0.0 112.286 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.58 138.45 29.49 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.385 2.723 . . . . 0.0 111.671 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.94 132.69 86.96 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.92 1.688 . . . . 0.0 112.015 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.47 -10.1 27.26 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.824 3.016 . . . . 0.0 113.653 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -92.35 -51.01 5.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.357 1.063 . . . . 0.0 113.65 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.3 p -125.27 -2.34 7.55 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -168.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 61.61 14.68 6.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.36 1.864 . . . . 0.0 114.648 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 48.8 m -64.31 148.79 95.6 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.795 0.838 . . . . 0.0 111.083 171.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.33 106.52 1.04 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 123.364 2.709 . . . . 0.0 110.127 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.62 147.05 26.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.94 1.296 . . . . 0.0 111.989 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -58.8 107.54 0.53 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.473 1.509 . . . . 0.0 109.101 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.2 132.71 33.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.106 0.562 . . . . 0.0 111.256 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -129.24 67.41 78.57 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.146 1.379 . . . . 0.0 109.991 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.29 -22.77 72.27 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.854 3.036 . . . . 0.0 114.271 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -73.18 -22.89 60.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.834 1.653 . . . . 0.0 113.664 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.91 0.76 18.78 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.534 1.934 . . . . 0.0 113.209 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm 46.07 39.58 6.03 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.114 2.166 . . . . 0.0 113.449 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.8 ttt180 -121.14 149.14 43.23 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.687 1.595 . . . . 0.0 111.217 -172.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.09 133.39 5.99 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.0 123.47 42.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.305 1.042 . . . . 0.0 112.176 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.73 141.48 57.84 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.613 0.72 . . . . 0.0 112.717 -177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 t -82.46 -21.06 35.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.695 1.198 . . . . 0.0 112.808 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -82.38 119.33 24.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 111.013 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.66 -25.69 64.94 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.12 59.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.494 1.117 . . . . 0.0 113.863 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 43.9 t -111.87 -59.47 1.98 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.754 2.022 . . . . 0.0 111.492 -175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.35 57.09 10.84 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.914 1.721 . . . . 0.0 114.037 170.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -103.92 153.45 20.77 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.797 1.239 . . . . 0.0 112.052 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -132.04 106.22 7.88 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.683 1.593 . . . . 0.0 109.412 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.73 154.58 43.98 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.36 122.66 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.698 1.599 . . . . 0.0 109.336 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 19.0 m -77.43 -7.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.3 mt -94.52 -32.31 13.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.741 1.217 . . . . 0.0 113.167 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -127.96 0.86 5.95 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.6 mt 56.18 33.06 21.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.559 1.944 . . . . 0.0 114.427 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 82.5 m -111.23 173.64 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.613 1.565 . . . . 0.0 110.267 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.45 38.55 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.811 -0.556 . . . . 0.0 111.107 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.8 t80 -57.4 133.6 55.31 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.102 0.961 . . . . 0.0 113.332 -169.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.724 1.21 . . . . 0.0 114.084 -173.395 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.64 164.0 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.549 1.94 . . . . 0.0 115.031 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.53 165.26 21.33 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.75 1.22 . . . . 0.0 113.472 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -148.29 127.9 13.28 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.304 1.441 . . . . 0.0 110.637 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.13 126.04 12.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.308 2.243 . . . . 0.0 108.428 168.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -91.34 150.08 40.77 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.403 0.681 . . . . 0.0 112.38 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.71 135.32 25.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.154 2.569 . . . . 0.0 111.316 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 20.9 t -57.08 131.4 80.22 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.632 1.573 . . . . 0.0 111.623 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.05 -8.95 24.87 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.733 2.955 . . . . 0.0 113.516 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.24 -51.34 4.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.836 1.254 . . . . 0.0 113.757 173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.04 -2.16 8.71 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.23 13.6 4.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.622 1.969 . . . . 0.0 114.774 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.7 m -66.27 149.94 97.42 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 124.502 1.121 . . . . 0.0 111.146 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.5 106.53 0.88 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.812 2.341 . . . . 0.0 110.107 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.96 149.84 27.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.791 1.236 . . . . 0.0 111.212 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.28 106.76 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 108.895 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -83.78 134.23 34.74 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.776 0.83 . . . . 0.0 111.054 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.72 70.43 77.11 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.252 1.421 . . . . 0.0 109.652 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.19 -27.62 78.69 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.563 2.842 . . . . 0.0 113.418 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.08 -17.08 63.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.786 1.634 . . . . 0.0 114.045 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.04 2.45 10.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.454 1.901 . . . . 0.0 113.422 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.77 41.56 5.17 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.803 2.041 . . . . 0.0 113.264 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -124.48 151.39 44.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.646 1.578 . . . . 0.0 111.331 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.47 133.48 5.97 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.4 mt -119.54 123.67 44.54 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.486 1.115 . . . . 0.0 112.213 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.7 t -61.11 144.98 52.54 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.31 -12.19 41.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.002 1.321 . . . . 0.0 113.294 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -88.73 119.1 28.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.213 1.405 . . . . 0.0 110.607 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.67 -29.15 68.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -172.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.12 59.08 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.11 -58.43 1.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.461 1.905 . . . . 0.0 111.812 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.1 60.53 6.06 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.28 1.895 . . . . 0.0 114.227 170.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.423 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.3 t80 -107.98 153.48 23.02 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.815 1.246 . . . . 0.0 112.376 -169.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -133.1 106.53 7.68 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.795 1.638 . . . . 0.0 109.082 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -127.14 155.05 43.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -168.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.6 124.48 27.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.908 1.683 . . . . 0.0 110.026 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.46 -3.28 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.8 mt -95.82 -37.03 10.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.233 1.013 . . . . 0.0 113.231 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -122.14 -1.57 9.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.3 mt 56.01 31.16 17.47 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.301 1.841 . . . . 0.0 114.3 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.5 m -107.37 173.45 6.32 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.322 1.449 . . . . 0.0 110.285 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.87 40.66 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.958 -0.464 . . . . 0.0 110.947 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -56.63 131.95 50.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.402 1.081 . . . . 0.0 113.337 -169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -120.41 19.57 12.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.818 1.247 . . . . 0.0 114.056 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.48 -121.8 21.83 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.724 1.154 . . . . 0.0 114.345 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 18.7 m -80.59 -6.0 57.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.5 156.22 38.41 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.457 1.026 . . . . 0.0 112.281 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.11 153.84 29.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.903 0.881 . . . . 0.0 112.205 171.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 86.1 m -69.4 172.11 7.65 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.466 1.506 . . . . 0.0 113.015 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -120.45 152.4 38.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 112.191 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -83.29 157.63 22.55 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 112.192 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.246 0 C-N-CA 125.523 1.535 . . . . 0.0 112.77 178.4 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -77.51 132.83 38.58 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.323 0.965 . . . . 0.0 112.228 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -152.99 163.59 39.55 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.046 1.739 . . . . 0.0 111.921 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -145.86 120.15 9.58 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 111.666 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt -148.49 127.36 12.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.601 2.36 . . . . 0.0 107.97 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.2 147.56 33.24 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 123.148 0.579 . . . . 0.0 112.047 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.31 137.38 30.91 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.996 2.464 . . . . 0.0 111.213 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.27 131.0 80.84 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.206 1.402 . . . . 0.0 111.701 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.9 -10.4 25.1 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.75 3.633 . . . . 0.0 113.951 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -103.55 -45.13 4.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.909 1.283 . . . . 0.0 113.803 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 11.9 p -131.34 1.73 4.17 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 61.98 11.94 4.56 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.6 1.96 . . . . 0.0 115.417 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.2 t -60.33 142.97 89.9 Favored Pre-proline 0 CA--C 1.542 0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 111.018 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.73 102.5 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.15 2.567 . . . . 0.0 110.079 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.5 41.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 111.55 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.73 106.12 0.64 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.641 1.176 . . . . 0.0 108.623 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -84.4 132.7 34.56 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.896 0.878 . . . . 0.0 110.89 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.29 69.41 60.53 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.921 1.288 . . . . 0.0 109.941 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.44 -26.1 76.39 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.725 2.95 . . . . 0.0 113.877 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -71.13 -20.03 62.37 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.847 1.659 . . . . 0.0 113.901 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.94 -7.82 12.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.212 1.805 . . . . 0.0 113.566 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.8 45.35 28.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.573 1.949 . . . . 0.0 112.683 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -123.11 150.51 43.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.095 1.758 . . . . 0.0 110.71 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.49 4.39 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -116.9 121.59 41.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.28 1.032 . . . . 0.0 112.197 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 35.7 t -57.68 143.76 40.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.868 0.867 . . . . 0.0 113.209 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.6 t -90.95 -10.45 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.617 1.167 . . . . 0.0 113.381 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.51 118.3 24.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.592 1.157 . . . . 0.0 110.273 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.96 -25.71 64.68 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.39 -11.64 59.93 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.342 1.057 . . . . 0.0 113.788 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.3 t -109.06 -64.27 1.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.812 2.045 . . . . 0.0 111.047 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.98 50.04 56.54 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.097 1.332 . . . . 0.0 113.961 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.1 t80 -96.34 155.3 16.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.266 1.426 . . . . 0.0 112.248 -169.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -129.27 106.15 8.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.786 1.634 . . . . 0.0 110.004 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -128.37 156.26 43.39 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 31.9 t -75.99 124.36 27.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.077 1.751 . . . . 0.0 110.406 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.89 -4.14 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.9 -36.5 10.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.965 0.906 . . . . 0.0 113.12 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.44 -0.08 7.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 90.6 mt 57.84 29.22 17.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.563 1.945 . . . . 0.0 115.303 171.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.15 176.85 4.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.803 1.241 . . . . 0.0 110.258 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.8 134.94 30.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.345 0.658 . . . . 0.0 111.355 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -58.42 131.15 49.84 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.382 1.073 . . . . 0.0 113.066 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -121.48 19.73 11.23 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.937 1.295 . . . . 0.0 114.021 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.06 -120.66 11.38 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.031 1.3 . . . . 0.0 114.936 169.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 33.2 m -81.92 -8.67 59.69 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.78 152.91 31.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.199 0.909 . . . . 0.0 111.424 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -81.53 159.8 24.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.904 0.882 . . . . 0.0 113.019 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.0 m -72.15 159.85 33.44 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.306 1.442 . . . . 0.0 112.697 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -67.45 161.63 24.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.727 1.611 . . . . 0.0 113.363 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -129.39 155.34 45.83 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.112 1.765 . . . . 0.0 111.56 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.216 0 C-N-CA 125.477 1.513 . . . . 0.0 112.816 179.356 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.572 0.225 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -120.67 9.02 10.69 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.989 1.716 . . . . 0.0 112.549 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -140.05 174.07 10.89 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.01 1.724 . . . . 0.0 112.648 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -141.33 125.69 17.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.459 1.504 . . . . 0.0 110.484 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.1 mt -146.68 129.96 16.63 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.655 2.382 . . . . 0.0 108.523 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -96.13 152.08 38.63 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.146 0.978 . . . . 0.0 112.365 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.59 134.82 22.95 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.423 2.749 . . . . 0.0 111.431 172.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.03 132.21 83.69 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.867 1.667 . . . . 0.0 111.935 171.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.79 -10.28 28.14 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.949 3.099 . . . . 0.0 113.537 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -92.48 -50.94 5.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.506 1.122 . . . . 0.0 113.673 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.23 -2.26 7.58 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -168.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.89 13.95 4.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.457 1.903 . . . . 0.0 114.619 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 40.3 m -64.89 149.98 95.61 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.903 170.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.73 108.62 1.09 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.794 2.329 . . . . 0.0 110.051 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.6 146.21 28.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.765 1.226 . . . . 0.0 111.128 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.68 107.05 0.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.731 1.212 . . . . 0.0 108.766 172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -85.42 134.41 34.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.876 0.87 . . . . 0.0 111.065 -171.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -128.38 70.13 79.17 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.114 1.366 . . . . 0.0 109.781 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.01 -27.68 79.74 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.551 2.834 . . . . 0.0 113.589 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.29 -18.28 63.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.897 1.679 . . . . 0.0 114.049 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.48 1.81 11.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.575 1.95 . . . . 0.0 113.291 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 44.34 42.1 5.02 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.147 2.179 . . . . 0.0 113.244 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -123.35 151.73 42.22 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.683 1.593 . . . . 0.0 111.101 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.89 133.37 5.84 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.51 122.38 41.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.537 1.135 . . . . 0.0 112.138 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.1 t -60.94 139.22 58.08 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.485 0.66 . . . . 0.0 112.576 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.2 t -81.06 -20.99 40.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.583 1.153 . . . . 0.0 112.848 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -80.94 118.94 22.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.992 1.317 . . . . 0.0 110.968 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.65 -25.39 64.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.0 -10.53 59.49 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.538 1.135 . . . . 0.0 113.809 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 41.2 t -111.89 -59.28 2.01 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.691 1.996 . . . . 0.0 111.48 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.15 53.53 27.06 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.82 1.676 . . . . 0.0 114.268 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -101.28 153.58 19.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.815 1.246 . . . . 0.0 112.222 -169.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -132.35 106.46 7.91 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.606 1.562 . . . . 0.0 109.459 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -128.19 155.08 45.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -168.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.23 125.13 28.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.113 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.05 -5.85 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.77 -38.54 11.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.044 0.938 . . . . 0.0 113.431 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.1 p -120.05 -0.48 10.56 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 55.54 31.61 17.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.4 1.88 . . . . 0.0 114.237 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -110.85 173.85 6.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.366 1.467 . . . . 0.0 110.224 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.79 133.85 36.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.967 0.507 . . . . 0.0 111.082 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -56.69 133.75 54.19 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.347 1.059 . . . . 0.0 113.45 -169.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -126.01 20.65 7.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 114.101 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.83 -122.71 23.93 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.525 1.06 . . . . 0.0 114.07 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.4 m -84.73 -2.62 57.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.23 161.39 30.6 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.129 -0.982 . . . . 0.0 112.137 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.01 146.34 33.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.651 1.18 . . . . 0.0 113.531 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.81 165.21 24.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.197 1.399 . . . . 0.0 113.879 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.78 116.09 4.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.71 1.604 . . . . 0.0 110.806 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 52.92 31.71 11.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.903 1.681 . . . . 0.0 113.31 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 C-N-CA 125.65 1.595 . . . . 0.0 113.919 177.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 110.768 -0.086 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -121.0 8.88 10.47 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.956 1.302 . . . . 0.0 113.448 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.22 147.6 42.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.57 1.148 . . . . 0.0 112.853 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -83.96 91.97 7.73 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.34 1.056 . . . . 0.0 110.049 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.8 mt -144.93 132.41 20.82 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.353 1.861 . . . . 0.0 109.998 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.25 153.13 39.74 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.79 1.236 . . . . 0.0 112.3 173.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -72.68 135.9 24.69 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.455 2.77 . . . . 0.0 111.452 170.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 7.3 t -58.04 133.33 83.87 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.486 1.514 . . . . 0.0 111.922 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.0 -12.07 33.4 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.058 3.172 . . . . 0.0 113.524 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -92.87 -49.67 5.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.565 1.146 . . . . 0.0 113.722 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.59 0.77 4.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -167.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.94 14.01 6.04 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.372 1.869 . . . . 0.0 115.239 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.0 t -59.53 143.52 85.99 Favored Pre-proline 0 CA--C 1.543 0.68 0 O-C-N 121.21 -0.932 . . . . 0.0 111.096 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.76 90.12 0.42 Allowed 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.802 3.002 . . . . 0.0 110.464 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -72.43 148.45 45.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.199 1.8 . . . . 0.0 112.451 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -58.22 104.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.848 1.659 . . . . 0.0 108.999 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.84 130.11 35.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.629 0.772 . . . . 0.0 110.98 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.78 66.1 74.44 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.881 1.272 . . . . 0.0 110.656 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.79 -20.81 64.98 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 124.121 3.214 . . . . 0.0 114.435 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -71.7 -24.0 61.74 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.315 1.446 . . . . 0.0 113.311 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.54 -6.79 17.82 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.504 1.922 . . . . 0.0 113.26 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 52.49 39.2 27.39 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.792 2.037 . . . . 0.0 112.975 -168.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -119.35 149.27 42.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.857 1.663 . . . . 0.0 110.893 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.28 131.71 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.41 123.96 45.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.293 1.037 . . . . 0.0 111.859 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.1 t -58.8 140.68 54.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.92 0.867 . . . . 0.0 112.779 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.2 m -87.77 -6.02 58.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.304 1.441 . . . . 0.0 113.226 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -93.97 120.48 34.28 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.749 1.62 . . . . 0.0 110.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.85 -30.33 68.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.87 59.12 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.45 -56.69 3.21 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.267 1.827 . . . . 0.0 111.054 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.36 54.7 22.77 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.734 1.635 . . . . 0.0 113.99 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.402 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -102.02 153.95 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.789 1.236 . . . . 0.0 112.109 -169.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -130.96 106.65 8.55 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.614 1.565 . . . . 0.0 109.183 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -126.11 154.43 43.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.7 t -78.14 123.79 27.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.329 1.452 . . . . 0.0 109.48 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.29 -4.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.35 -32.87 11.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.89 1.276 . . . . 0.0 113.296 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.84 -0.03 7.33 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.1 mt 56.34 29.51 15.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.277 1.831 . . . . 0.0 114.602 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 77.8 m -104.2 174.21 5.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.724 1.61 . . . . 0.0 110.376 170.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.35 38.76 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.853 -0.529 . . . . 0.0 110.851 172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -58.88 132.22 53.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.323 1.049 . . . . 0.0 113.036 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -126.7 19.47 7.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.699 1.2 . . . . 0.0 114.065 -171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.01 -119.11 9.19 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.573 1.082 . . . . 0.0 113.983 173.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 68.1 p -88.36 -1.27 57.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.521 1.528 . . . . 0.0 115.113 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.23 167.23 20.8 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.164 -0.96 . . . . 0.0 112.35 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -77.24 144.31 38.31 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.076 -1.015 . . . . 0.0 113.36 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 77.6 m -72.13 168.01 19.07 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.705 1.602 . . . . 0.0 113.882 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -111.43 155.18 23.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.754 1.622 . . . . 0.0 112.528 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.89 156.72 37.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.741 1.216 . . . . 0.0 112.969 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.272 0 C-N-CA 125.422 1.487 . . . . 0.0 113.444 175.842 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.914 0.388 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.92 161.75 28.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.805 1.242 . . . . 0.0 113.558 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -129.28 165.17 21.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.966 1.706 . . . . 0.0 111.566 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -140.88 124.8 17.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.085 1.354 . . . . 0.0 111.304 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 85.1 mt -147.26 110.75 4.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.906 2.482 . . . . 0.0 108.042 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -77.21 149.0 78.82 Favored Pre-proline 0 N--CA 1.472 0.672 0 O-C-N 121.939 -0.476 . . . . 0.0 112.112 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.54 136.86 29.3 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.06 2.507 . . . . 0.0 111.153 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 9.9 t -56.4 131.26 76.3 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.784 1.634 . . . . 0.0 111.676 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.02 -9.21 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.099 3.199 . . . . 0.0 113.465 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -99.71 -46.72 5.33 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.751 1.22 . . . . 0.0 113.786 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.2 p -127.66 -1.37 6.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 61.31 13.39 4.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.281 1.832 . . . . 0.0 114.679 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -65.21 148.37 97.96 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 123.907 0.883 . . . . 0.0 110.687 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.06 113.6 2.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 109.795 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.76 148.92 26.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.576 1.151 . . . . 0.0 111.323 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -63.42 105.69 0.8 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.603 1.161 . . . . 0.0 108.31 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -83.84 133.1 34.76 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.8 0.84 . . . . 0.0 111.006 -172.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.75 69.05 75.8 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.143 1.377 . . . . 0.0 109.865 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.29 -26.84 77.5 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.527 2.818 . . . . 0.0 113.644 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -70.13 -19.56 63.22 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.811 1.644 . . . . 0.0 113.953 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -116.17 1.79 13.23 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.512 1.925 . . . . 0.0 113.268 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.2 mttp 44.4 42.29 5.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.23 2.212 . . . . 0.0 113.377 -169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -123.21 150.47 43.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.763 1.625 . . . . 0.0 111.007 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.55 131.18 5.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -117.47 119.55 35.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.352 1.061 . . . . 0.0 111.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.4 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 25.7 t -58.36 135.0 57.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.211 0.604 . . . . 0.0 112.2 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.1 t -82.01 -11.25 58.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.987 0.915 . . . . 0.0 113.207 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -84.93 117.93 24.23 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.982 1.313 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.68 -23.74 64.43 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.4 -9.71 58.81 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.492 1.117 . . . . 0.0 113.874 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.0 t -115.52 -63.93 1.39 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.744 2.018 . . . . 0.0 111.148 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.07 47.77 65.62 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.12 1.343 . . . . 0.0 114.289 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 40.4 t80 -94.87 150.53 20.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.938 1.295 . . . . 0.0 111.729 -170.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -125.82 106.1 9.43 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.62 1.568 . . . . 0.0 109.915 -172.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -127.83 155.54 43.94 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -168.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.3 t -77.21 124.82 28.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.174 1.789 . . . . 0.0 110.248 170.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.72 -3.34 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 46.9 mt -95.28 -37.6 10.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.049 0.94 . . . . 0.0 113.313 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.6 -4.77 9.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.3 mt 58.69 30.48 20.0 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.022 1.729 . . . . 0.0 114.499 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 95.5 m -106.73 174.28 5.96 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.126 1.37 . . . . 0.0 110.222 169.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.06 135.9 36.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.983 0.513 . . . . 0.0 111.119 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 81.1 t80 -57.28 133.13 54.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.201 1.001 . . . . 0.0 113.334 -169.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -124.48 21.73 8.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.907 1.283 . . . . 0.0 113.88 -175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.76 -123.37 31.85 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.336 0.97 . . . . 0.0 114.127 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.5 t -87.34 -0.71 57.17 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.86 157.46 37.41 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.864 -1.147 . . . . 0.0 112.527 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.95 149.35 50.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.385 1.474 . . . . 0.0 113.079 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.7 144.5 45.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.629 1.171 . . . . 0.0 111.536 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -138.03 164.8 28.17 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.116 1.366 . . . . 0.0 112.927 -168.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -65.68 154.12 39.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.46 1.504 . . . . 0.0 112.458 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 C-N-CA 125.774 1.654 . . . . 0.0 112.916 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.82 141.36 30.33 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.997 1.319 . . . . 0.0 111.259 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -141.95 159.61 41.88 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.585 1.554 . . . . 0.0 111.511 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -81.08 8.94 7.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.09 102.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.165 2.986 . . . . 0.0 110.419 174.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 582' ' ' TYR . 32.1 mttm -79.63 148.47 69.53 Favored Pre-proline 0 N--CA 1.471 0.616 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.235 -171.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.893 2.395 . . . . 0.0 110.919 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 12.4 t -52.79 130.89 47.57 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.863 1.665 . . . . 0.0 111.756 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -69.55 -6.81 19.39 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 113.492 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -96.19 -51.53 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.859 1.263 . . . . 0.0 113.871 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.8 p -123.43 -1.47 8.59 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 61.64 13.79 5.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.869 2.067 . . . . 0.0 114.832 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.47 149.23 98.23 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.585 1.154 . . . . 0.0 111.434 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 104.7 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.056 2.504 . . . . 0.0 110.263 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.91 150.55 32.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.54 110.0 1.84 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.489 1.116 . . . . 0.0 108.928 172.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' TYR . . . . . 0.413 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 10.6 t80 -85.74 134.57 33.95 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.816 0.846 . . . . 0.0 111.412 -172.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.69 70.58 77.14 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.264 1.426 . . . . 0.0 109.756 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -62.05 -27.95 79.78 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.583 2.855 . . . . 0.0 113.473 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -69.68 -16.32 63.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.748 1.619 . . . . 0.0 114.059 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.86 2.08 10.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.49 1.916 . . . . 0.0 113.498 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 45.01 41.41 5.36 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.602 1.961 . . . . 0.0 113.139 -169.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -124.94 150.6 46.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.633 1.573 . . . . 0.0 111.167 -171.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.18 131.96 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.38 124.27 47.31 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.542 1.137 . . . . 0.0 111.991 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.422 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.6 t -60.83 143.93 53.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -175.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.1 t -83.27 -21.37 33.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.003 1.321 . . . . 0.0 112.892 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -82.2 118.44 23.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.093 1.357 . . . . 0.0 110.728 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.23 -28.56 67.34 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.89 -18.43 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.21 -58.34 2.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.453 1.901 . . . . 0.0 111.52 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.14 55.88 14.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.13 1.824 . . . . 0.0 113.992 170.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.422 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.9 t80 -103.54 154.32 19.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.808 1.243 . . . . 0.0 112.419 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -133.19 105.79 7.21 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.709 1.604 . . . . 0.0 109.238 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -127.37 155.45 43.58 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -76.46 123.23 25.7 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.672 1.589 . . . . 0.0 110.011 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.44 -7.59 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -91.81 -38.21 12.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.91 0.884 . . . . 0.0 113.209 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.48 0.37 8.24 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.79 33.41 23.19 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.579 1.951 . . . . 0.0 115.038 170.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.71 174.57 5.86 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.038 1.335 . . . . 0.0 110.277 169.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.19 134.44 33.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.109 0.564 . . . . 0.0 111.136 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.45 130.22 43.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.282 1.033 . . . . 0.0 112.916 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -122.17 17.48 10.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -170.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.02 -117.07 5.65 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.86 1.219 . . . . 0.0 114.186 170.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.6 m -84.16 -5.28 59.22 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.05 162.07 29.39 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.415 1.007 . . . . 0.0 112.022 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -81.78 157.3 24.54 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.343 -0.848 . . . . 0.0 113.008 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.45 171.93 14.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.119 1.768 . . . . 0.0 113.539 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -61.49 130.28 45.22 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.987 1.315 . . . . 0.0 111.351 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -155.21 161.79 41.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.779 1.631 . . . . 0.0 112.555 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.306 0 C-N-CA 125.39 1.471 . . . . 0.0 113.614 -178.473 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.601 0.239 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -144.01 161.8 37.84 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.968 1.307 . . . . 0.0 111.477 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.23 11.23 3.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.518 1.527 . . . . 0.0 115.092 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -146.76 125.33 12.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.886 2.075 . . . . 0.0 110.398 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt -147.29 124.79 11.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.116 2.166 . . . . 0.0 108.593 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -88.67 149.4 43.96 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 123.407 0.683 . . . . 0.0 112.236 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -70.69 136.35 30.33 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.193 2.595 . . . . 0.0 111.237 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 33.0 t -57.03 130.66 79.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.501 1.52 . . . . 0.0 111.888 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.05 -10.5 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.908 3.072 . . . . 0.0 113.483 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.88 -50.42 5.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.608 1.163 . . . . 0.0 113.857 172.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.84 0.87 6.02 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 61.35 10.58 3.17 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.084 2.153 . . . . 0.0 116.13 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 2.9 m -73.45 152.03 89.74 Favored Pre-proline 0 N--CA 1.474 0.726 0 O-C-N 121.091 -1.006 . . . . 0.0 110.686 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.11 111.35 1.74 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.2 2.6 . . . . 0.0 110.414 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -80.24 149.24 30.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.253 1.421 . . . . 0.0 111.033 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -63.48 110.28 1.91 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.073 0.949 . . . . 0.0 108.793 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -86.75 135.13 33.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.862 0.865 . . . . 0.0 111.156 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -128.47 69.93 79.32 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.229 1.411 . . . . 0.0 109.737 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.38 -26.9 77.06 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.466 2.777 . . . . 0.0 113.481 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -70.0 -17.24 63.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.734 1.614 . . . . 0.0 114.045 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.91 2.5 11.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.539 1.936 . . . . 0.0 113.392 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.95 41.37 5.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.901 2.081 . . . . 0.0 113.317 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -124.08 151.75 43.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.793 1.637 . . . . 0.0 111.357 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.67 133.47 5.76 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -119.88 123.13 42.85 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.631 1.172 . . . . 0.0 112.468 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.2 t -60.33 143.08 53.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.2 t -81.2 -23.74 37.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.827 1.251 . . . . 0.0 112.829 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -80.12 120.05 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.571 1.149 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.66 -30.4 69.93 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.09 -18.04 60.34 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.03 -58.5 2.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.415 1.886 . . . . 0.0 111.086 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.85 52.5 30.02 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.884 1.707 . . . . 0.0 113.956 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -99.35 153.63 18.82 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.688 1.195 . . . . 0.0 112.303 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -133.34 106.86 7.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.717 1.607 . . . . 0.0 109.485 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -128.69 154.82 45.92 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -168.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.0 t -76.39 124.83 28.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.863 1.665 . . . . 0.0 109.994 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.0 m -79.6 -2.48 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.2 mt -96.67 -38.35 9.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.218 1.007 . . . . 0.0 113.29 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.64 -0.52 10.78 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.8 mt 55.22 32.36 18.37 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.371 1.869 . . . . 0.0 114.147 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.1 m -112.68 173.83 6.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.266 1.427 . . . . 0.0 110.106 172.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.68 133.68 36.42 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.06 0.544 . . . . 0.0 111.183 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -56.18 133.37 52.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.367 1.067 . . . . 0.0 113.514 -169.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -124.37 20.76 8.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.802 1.241 . . . . 0.0 114.063 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 55.76 -121.11 21.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.372 0.987 . . . . 0.0 113.995 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 56.2 m -88.02 -0.3 56.85 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -74.8 169.5 17.77 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.108 -0.995 . . . . 0.0 113.007 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -82.27 146.09 29.65 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.305 1.042 . . . . 0.0 112.471 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.73 165.94 18.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.824 1.25 . . . . 0.0 113.358 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.81 145.21 35.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.752 1.621 . . . . 0.0 112.47 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -120.05 159.98 23.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.527 1.931 . . . . 0.0 111.616 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 C-N-CA 125.37 1.462 . . . . 0.0 112.746 178.566 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.759 0.314 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.7 145.62 31.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.196 1.399 . . . . 0.0 111.189 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.7 151.9 47.55 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.025 1.33 . . . . 0.0 112.053 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -99.95 102.51 13.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.31 1.444 . . . . 0.0 109.319 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.1 mt -146.65 125.85 13.0 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.875 2.07 . . . . 0.0 109.308 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.43 150.89 39.7 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 124.18 0.992 . . . . 0.0 112.068 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.93 136.61 27.81 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.09 2.527 . . . . 0.0 111.617 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.0 t -56.96 130.69 79.42 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.702 1.601 . . . . 0.0 111.724 171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.87 -10.92 29.62 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.986 3.124 . . . . 0.0 113.528 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -93.34 -49.15 6.08 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.59 1.156 . . . . 0.0 113.638 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 8.1 p -129.99 0.77 4.77 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -167.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 62.78 13.71 6.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.705 2.002 . . . . 0.0 115.435 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 53.6 m -61.52 148.32 86.51 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 121.282 -0.886 . . . . 0.0 111.329 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -65.78 103.14 0.56 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.748 2.299 . . . . 0.0 109.812 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -79.24 145.4 33.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.473 1.109 . . . . 0.0 111.165 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -62.66 109.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.145 0.978 . . . . 0.0 109.081 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.22 135.42 33.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.976 0.91 . . . . 0.0 111.402 -171.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -129.01 70.23 81.45 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 125.218 1.407 . . . . 0.0 109.479 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.15 -28.07 79.35 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.508 2.805 . . . . 0.0 113.561 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -69.74 -18.53 63.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.941 1.696 . . . . 0.0 113.921 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.84 2.07 12.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.524 1.93 . . . . 0.0 113.247 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 43.93 42.68 4.8 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.081 2.152 . . . . 0.0 113.482 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -123.65 150.35 44.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.654 1.582 . . . . 0.0 111.309 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.31 133.07 5.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.11 0.862 . . . . 0.0 110.998 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.92 123.1 43.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.537 1.135 . . . . 0.0 112.307 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 31.4 t -60.44 145.34 48.55 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -89.26 -13.33 38.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.022 1.329 . . . . 0.0 113.353 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -87.77 119.47 28.13 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.0 -26.42 65.01 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -172.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.37 -10.54 59.51 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.417 1.087 . . . . 0.0 113.879 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.8 t -108.74 -59.74 1.84 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.806 2.042 . . . . 0.0 111.316 -175.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.9 56.05 15.67 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.879 1.704 . . . . 0.0 114.272 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.419 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.1 t80 -102.87 153.64 20.0 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.83 1.252 . . . . 0.0 112.36 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -132.27 105.65 7.45 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.71 1.604 . . . . 0.0 109.239 -173.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.11 155.46 43.29 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -168.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.23 124.27 27.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.265 1.826 . . . . 0.0 110.221 169.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.3 m -79.71 -1.74 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -174.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.2 mt -97.05 -37.36 10.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.282 1.033 . . . . 0.0 113.422 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.99 -2.09 9.77 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.8 mt 56.36 30.73 17.4 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.177 1.791 . . . . 0.0 114.153 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -107.87 173.75 6.18 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.462 1.505 . . . . 0.0 110.361 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.22 135.18 38.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.835 -0.54 . . . . 0.0 111.189 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.79 134.54 55.16 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.413 1.085 . . . . 0.0 113.92 -169.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -127.38 23.37 6.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.136 1.375 . . . . 0.0 113.775 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 57.9 -127.76 45.85 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.251 -0.906 . . . . 0.0 114.16 170.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.4 p -86.19 -1.28 57.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.314 1.446 . . . . 0.0 114.591 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.87 154.8 41.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.09 -1.006 . . . . 0.0 111.777 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -78.53 143.89 36.14 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.307 -0.871 . . . . 0.0 112.606 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 67.2 m -67.18 148.67 51.49 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.573 1.149 . . . . 0.0 111.936 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -157.31 156.91 33.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.937 1.695 . . . . 0.0 112.167 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -109.41 11.96 24.84 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.943 1.697 . . . . 0.0 114.565 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 C-N-CA 126.622 2.058 . . . . 0.0 112.611 179.314 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -85.48 -1.38 57.01 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -174.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -138.12 164.83 28.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.149 2.18 . . . . 0.0 111.088 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -124.45 113.0 17.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.183 1.393 . . . . 0.0 109.978 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.0 mt -146.08 123.2 11.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.836 2.054 . . . . 0.0 108.887 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.49 150.36 56.78 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 123.007 0.523 . . . . 0.0 112.241 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.06 132.04 20.52 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.187 2.592 . . . . 0.0 110.951 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 15.5 t -55.16 131.61 68.79 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.954 1.702 . . . . 0.0 111.754 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.24 -9.13 25.48 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.842 3.028 . . . . 0.0 113.369 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.71 -51.33 4.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 113.824 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.9 p -123.78 -1.57 8.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -168.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 61.38 13.39 4.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.777 2.031 . . . . 0.0 114.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.5 97.8 Favored Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.521 1.129 . . . . 0.0 111.223 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.94 106.89 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.857 2.371 . . . . 0.0 110.312 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.47 147.54 27.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.942 1.297 . . . . 0.0 111.414 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.52 107.47 0.8 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.837 1.255 . . . . 0.0 109.135 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.12 133.67 33.86 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.825 0.85 . . . . 0.0 111.493 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -128.29 69.62 78.41 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.259 1.424 . . . . 0.0 109.812 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.09 -25.53 77.44 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.0 3.134 . . . . 0.0 114.28 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.76 -22.54 59.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.175 1.79 . . . . 0.0 113.783 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -110.98 0.82 17.14 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.459 1.904 . . . . 0.0 113.296 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.78 40.09 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.146 2.179 . . . . 0.0 113.567 -170.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 64.6 ttt180 -121.55 150.2 42.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.562 1.545 . . . . 0.0 111.143 -172.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.2 132.44 5.34 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 48.3 mt -118.82 123.19 44.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 112.3 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 20.9 t -61.35 144.08 54.61 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.8 t -84.67 -21.04 30.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.06 1.344 . . . . 0.0 112.891 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -81.94 118.48 22.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.1 1.36 . . . . 0.0 110.814 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.8 -29.14 68.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.58 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.4 t -96.41 -58.35 2.09 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.402 1.881 . . . . 0.0 111.525 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.16 59.84 6.64 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.206 1.86 . . . . 0.0 113.995 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.42 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.4 t80 -107.53 152.97 23.53 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.873 1.269 . . . . 0.0 112.197 -169.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -132.4 106.36 7.84 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.824 1.65 . . . . 0.0 109.103 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -127.13 154.78 44.31 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.94 123.05 25.75 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.583 1.553 . . . . 0.0 109.575 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.64 -3.64 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.91 -32.63 11.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 113.126 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -124.98 -1.31 7.81 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.07 30.9 17.1 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.288 1.835 . . . . 0.0 114.359 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.07 173.66 6.23 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.596 1.558 . . . . 0.0 110.281 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.0 38.63 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.981 -0.449 . . . . 0.0 110.906 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 77.6 t80 -57.04 134.23 55.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.258 1.023 . . . . 0.0 113.52 -169.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -125.3 20.86 8.05 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.768 1.227 . . . . 0.0 114.036 -174.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.69 -125.93 36.28 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.361 0.981 . . . . 0.0 114.16 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 18.9 m -83.26 -2.7 56.26 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.12 161.18 30.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.338 0.972 . . . . 0.0 112.035 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.34 150.58 40.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.618 1.167 . . . . 0.0 113.002 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.9 m -65.93 160.79 22.7 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 122.804 1.287 . . . . 0.0 113.697 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.42 27.32 0.27 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.733 2.013 . . . . 0.0 115.55 -167.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 50.19 44.79 26.15 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 127.132 2.173 . . . . 0.0 113.917 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 125.498 1.523 . . . . 0.0 113.732 178.411 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -144.48 3.81 1.16 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.14 1.376 . . . . 0.0 113.663 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.59 175.52 5.46 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.188 2.195 . . . . 0.0 112.917 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -136.54 124.92 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.794 1.638 . . . . 0.0 109.79 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt -147.22 131.0 16.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.554 2.342 . . . . 0.0 108.375 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.16 151.2 37.31 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 124.349 1.059 . . . . 0.0 112.309 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.43 137.09 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.326 2.684 . . . . 0.0 111.558 174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 31.4 t -57.86 130.49 82.54 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.514 1.525 . . . . 0.0 111.727 170.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.92 -9.77 27.26 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 123.876 3.051 . . . . 0.0 113.509 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -94.42 -50.88 5.02 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.745 1.218 . . . . 0.0 113.829 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.61 0.75 6.83 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -167.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 62.04 10.26 3.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.94 2.096 . . . . 0.0 116.033 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.7 m -72.11 152.62 92.65 Favored Pre-proline 0 N--CA 1.474 0.736 0 O-C-N 121.105 -0.997 . . . . 0.0 111.308 169.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.44 110.77 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.386 2.724 . . . . 0.0 110.441 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.47 149.86 28.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 111.189 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.12 107.17 0.98 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.62 1.168 . . . . 0.0 108.866 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -84.59 135.23 34.28 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.97 0.908 . . . . 0.0 111.17 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -128.59 70.69 80.35 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.135 1.374 . . . . 0.0 109.644 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -28.08 80.77 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.607 2.871 . . . . 0.0 113.516 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.24 -18.21 63.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 113.974 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.65 1.99 11.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.429 1.892 . . . . 0.0 113.319 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 44.27 42.71 5.39 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 113.268 -169.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -124.5 152.29 43.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.749 1.62 . . . . 0.0 111.099 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.42 133.59 5.86 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -119.27 123.99 45.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.464 1.106 . . . . 0.0 112.384 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 27.2 t -61.08 146.44 47.31 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.6 t -86.81 -21.62 26.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.373 1.469 . . . . 0.0 113.045 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -81.53 119.62 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.964 1.306 . . . . 0.0 110.728 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.31 -26.56 64.78 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.16 -8.09 56.93 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.542 1.137 . . . . 0.0 113.932 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.0 t -112.16 -59.75 1.95 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.939 2.096 . . . . 0.0 110.976 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.01 54.98 20.57 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.878 1.704 . . . . 0.0 113.745 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 18.1 t80 -101.32 153.91 19.24 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.905 1.282 . . . . 0.0 112.542 -168.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -133.52 106.65 7.56 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.751 1.62 . . . . 0.0 109.212 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.57 155.08 45.48 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -168.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 34.9 t -76.45 124.79 28.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.818 1.647 . . . . 0.0 110.046 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -79.26 -5.8 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 48.5 mt -93.94 -38.13 11.34 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.997 0.919 . . . . 0.0 113.265 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 23.3 p -122.55 1.15 9.49 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.5 mt 55.37 33.52 21.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.845 2.058 . . . . 0.0 114.603 171.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.8 m -115.4 175.58 5.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.284 1.434 . . . . 0.0 110.268 170.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.93 133.41 32.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.214 0.606 . . . . 0.0 111.286 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -56.76 133.88 54.52 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.528 1.131 . . . . 0.0 113.458 -169.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -123.57 19.68 9.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.49 -123.83 29.43 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.594 1.092 . . . . 0.0 114.234 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.4 m -83.57 -4.62 58.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.34 159.06 31.87 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.172 -0.955 . . . . 0.0 111.857 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.83 158.46 32.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.359 -0.838 . . . . 0.0 112.721 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.1 163.87 27.15 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.465 1.506 . . . . 0.0 113.545 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -59.97 147.99 36.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.994 1.718 . . . . 0.0 113.766 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -97.41 145.88 25.74 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.1 1.76 . . . . 0.0 111.46 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.384 0 C-N-CA 125.385 1.469 . . . . 0.0 113.713 177.629 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.45 24.27 4.43 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.025 1.33 . . . . 0.0 112.332 -169.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -142.07 172.3 12.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.382 1.873 . . . . 0.0 112.409 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -145.79 135.22 23.09 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.046 1.738 . . . . 0.0 109.633 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt -147.11 128.9 15.28 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.469 2.308 . . . . 0.0 108.978 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -88.9 151.2 46.94 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.635 0.774 . . . . 0.0 112.243 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.43 136.46 26.29 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.243 2.629 . . . . 0.0 111.445 170.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.69 132.55 82.55 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.048 1.739 . . . . 0.0 112.055 172.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.0 -10.64 28.84 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.854 3.036 . . . . 0.0 113.548 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -92.19 -50.68 5.54 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.536 1.135 . . . . 0.0 113.7 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.67 -2.61 7.29 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -168.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 61.21 14.38 5.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.346 1.858 . . . . 0.0 114.606 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -64.94 149.12 97.05 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 121.352 -0.842 . . . . 0.0 110.806 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.07 109.46 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.83 2.353 . . . . 0.0 110.084 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -85.76 145.35 27.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.72 108.64 1.03 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.153 . . . . 0.0 108.882 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.92 132.83 34.08 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.831 0.852 . . . . 0.0 111.411 -169.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -128.01 68.41 75.76 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.394 1.478 . . . . 0.0 109.9 -176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.69 -24.36 74.81 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.888 3.059 . . . . 0.0 114.251 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -73.37 -22.35 60.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.728 . . . . 0.0 113.646 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.9 1.46 17.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.605 1.962 . . . . 0.0 113.199 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 45.46 39.65 4.84 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.252 2.221 . . . . 0.0 113.649 -169.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -121.04 150.17 41.58 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.537 1.535 . . . . 0.0 111.29 -172.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.7 133.75 6.07 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 173.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.81 122.03 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.449 1.1 . . . . 0.0 112.291 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.8 t -61.02 140.2 57.89 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.602 0.715 . . . . 0.0 112.66 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.0 t -81.69 -21.22 38.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.694 1.198 . . . . 0.0 112.854 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.94 119.22 23.68 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.046 1.338 . . . . 0.0 110.905 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.82 -25.44 64.67 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.92 -10.2 59.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.499 1.12 . . . . 0.0 113.812 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.14 -59.55 1.98 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.664 1.985 . . . . 0.0 111.428 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.86 55.44 18.05 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.978 1.751 . . . . 0.0 114.13 170.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.409 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.5 t80 -103.22 152.38 21.55 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 112.069 -169.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -131.1 105.97 8.06 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.587 1.555 . . . . 0.0 109.163 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -126.99 154.58 44.42 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -168.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 38.9 t -77.03 122.9 25.58 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.979 1.712 . . . . 0.0 109.499 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.23 -3.33 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.34 -32.22 11.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.882 1.273 . . . . 0.0 113.101 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.6 -1.82 7.96 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 92.8 mt 56.2 31.45 18.4 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.235 1.814 . . . . 0.0 114.064 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 81.7 m -108.66 173.29 6.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.683 1.593 . . . . 0.0 110.311 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.37 134.98 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.845 -0.534 . . . . 0.0 111.027 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.35 134.49 56.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 113.632 -169.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -126.41 21.86 7.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.955 1.302 . . . . 0.0 113.879 -175.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 55.62 -126.76 40.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.327 0.965 . . . . 0.0 113.866 172.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.1 m -83.19 -1.18 52.36 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -74.11 168.85 18.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.361 0.982 . . . . 0.0 113.15 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -83.67 142.98 30.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.357 1.063 . . . . 0.0 112.441 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.2 152.62 45.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.726 1.21 . . . . 0.0 112.688 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -81.88 158.53 23.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.681 1.192 . . . . 0.0 112.959 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -68.43 140.54 55.78 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.956 1.302 . . . . 0.0 111.531 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 0 C-N-CA 125.445 1.498 . . . . 0.0 113.341 176.782 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -83.02 162.82 21.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.504 1.121 . . . . 0.0 111.93 172.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -79.25 7.14 8.22 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -150.72 124.11 8.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.475 1.91 . . . . 0.0 110.839 170.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.8 mt -148.91 135.99 19.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.487 2.315 . . . . 0.0 107.847 168.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -101.74 151.56 37.94 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 124.117 0.967 . . . . 0.0 112.39 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.07 136.96 28.13 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.292 2.661 . . . . 0.0 111.245 171.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.3 131.65 81.02 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 0.0 111.715 170.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.29 -9.31 21.57 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.574 3.516 . . . . 0.0 113.795 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -104.78 -46.32 4.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 0.0 113.994 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -124.99 -1.36 7.8 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.15 13.51 4.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.355 1.862 . . . . 0.0 114.742 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 46.5 m -65.14 149.03 97.46 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 111.004 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.28 110.6 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.138 2.559 . . . . 0.0 109.918 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -84.54 146.36 27.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.756 1.223 . . . . 0.0 111.447 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -62.28 107.83 0.98 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.735 1.214 . . . . 0.0 108.695 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -86.51 132.81 33.82 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 -171.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -125.77 69.59 64.44 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.931 1.292 . . . . 0.0 110.008 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.18 -25.63 77.18 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 124.056 3.171 . . . . 0.0 114.369 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.6 -23.67 59.96 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.061 1.744 . . . . 0.0 113.705 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.24 -8.63 15.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.119 1.768 . . . . 0.0 113.586 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 53.79 40.99 32.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.485 1.914 . . . . 0.0 113.045 -169.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -120.34 148.89 43.16 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.842 1.657 . . . . 0.0 110.777 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.93 130.69 4.79 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 44.8 mt -118.64 120.52 37.7 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.224 1.01 . . . . 0.0 112.074 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.5 t -59.44 134.96 57.49 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 112.169 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.2 t -78.92 -20.8 48.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 112.819 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -77.28 117.62 18.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.04 1.336 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.91 -23.75 64.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.95 -10.17 59.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.432 1.093 . . . . 0.0 113.804 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.8 -63.47 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.817 2.047 . . . . 0.0 111.083 -175.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.87 46.53 68.08 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.31 1.433 . . . . 0.0 114.093 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.8 t80 -93.65 149.71 21.01 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.883 1.273 . . . . 0.0 111.812 -169.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -123.91 106.25 10.28 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.69 1.596 . . . . 0.0 109.872 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -127.42 154.95 44.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.91 122.88 25.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.39 1.476 . . . . 0.0 109.66 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.35 -10.22 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -175.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -93.66 -32.27 14.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.663 1.185 . . . . 0.0 112.985 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.65 2.0 4.48 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.78 30.43 18.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 115.159 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.8 m -106.52 174.52 5.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.417 1.487 . . . . 0.0 110.495 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.64 135.45 34.7 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.88 -0.513 . . . . 0.0 110.958 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.92 130.48 47.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.193 0.997 . . . . 0.0 112.714 -169.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -123.67 18.2 9.54 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.81 -119.25 10.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.872 1.225 . . . . 0.0 114.042 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.8 p -85.35 -4.88 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 0.0 114.908 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -70.14 160.12 32.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.187 0.995 . . . . 0.0 112.023 175.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -78.84 143.53 35.9 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.048 -1.032 . . . . 0.0 113.146 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.88 160.96 31.85 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 113.491 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -71.46 156.94 38.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.517 1.127 . . . . 0.0 112.277 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 -81.49 156.56 25.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.598 1.159 . . . . 0.0 111.795 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 C-N-CA 125.427 1.489 . . . . 0.0 113.543 176.884 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.93 1.34 1.13 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.124 1.37 . . . . 0.0 114.381 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.64 173.13 6.56 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.098 2.159 . . . . 0.0 113.003 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -131.61 117.69 19.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.381 1.472 . . . . 0.0 109.726 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.11 135.7 21.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.466 2.306 . . . . 0.0 108.358 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -102.5 151.76 38.26 Favored Pre-proline 0 N--CA 1.474 0.733 0 C-N-CA 124.573 1.149 . . . . 0.0 112.135 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.7 136.03 27.2 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.191 2.594 . . . . 0.0 111.313 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.6 t -57.62 131.54 82.12 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.619 1.568 . . . . 0.0 111.428 170.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.8 -8.45 19.67 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.437 3.424 . . . . 0.0 113.933 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -105.43 -45.56 4.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.918 1.287 . . . . 0.0 114.147 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.6 p -123.97 -2.8 8.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 60.95 14.06 5.01 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.224 1.81 . . . . 0.0 114.662 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 m -65.29 150.13 96.09 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.874 0.87 . . . . 0.0 110.877 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.3 107.99 0.91 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.929 2.419 . . . . 0.0 109.992 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.16 30.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.781 1.232 . . . . 0.0 110.905 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.54 110.42 1.69 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.245 1.018 . . . . 0.0 108.803 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.076 0.95 . . . . 0.0 111.158 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.14 70.87 78.98 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.154 1.382 . . . . 0.0 109.843 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.8 -27.76 80.92 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.546 2.83 . . . . 0.0 113.621 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -70.69 -18.26 62.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.937 1.695 . . . . 0.0 114.012 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.38 1.27 11.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.41 1.884 . . . . 0.0 113.437 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 44.95 42.39 6.21 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.949 2.099 . . . . 0.0 113.309 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.6 ttt180 -124.22 150.93 44.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.573 1.549 . . . . 0.0 111.043 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.87 131.84 5.12 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 38.5 mt -119.06 122.17 41.52 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 112.168 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.7 t -60.53 137.83 58.11 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.466 0.651 . . . . 0.0 112.411 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 18.0 t -79.77 -21.65 44.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.498 1.119 . . . . 0.0 112.895 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -77.88 118.61 20.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.91 1.284 . . . . 0.0 110.712 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.85 -26.58 66.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.6 -15.35 60.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 0.0 113.782 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 48.5 t -105.65 -62.09 1.41 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.607 1.963 . . . . 0.0 111.047 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.78 48.81 60.58 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.431 1.491 . . . . 0.0 114.226 169.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 26.3 t80 -97.54 153.49 18.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.713 1.205 . . . . 0.0 112.105 -169.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -130.65 106.33 8.41 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.8 1.64 . . . . 0.0 109.93 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.17 155.43 44.48 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.16 125.03 28.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.158 1.783 . . . . 0.0 110.103 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.0 m -78.91 -6.44 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.3 -37.3 12.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.108 0.963 . . . . 0.0 113.444 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -121.82 -2.02 9.35 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.0 mt 56.23 30.33 16.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.116 1.766 . . . . 0.0 114.237 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.3 m -106.72 172.88 6.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.36 1.464 . . . . 0.0 110.3 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.23 134.83 39.09 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 82.0 t80 -57.0 130.99 48.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.981 0.912 . . . . 0.0 113.024 -169.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -120.5 18.19 12.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.6 -117.68 6.8 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.908 1.242 . . . . 0.0 114.428 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.8 m -81.61 -6.72 59.27 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.86 153.19 41.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.518 1.053 . . . . 0.0 112.017 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.25 151.62 35.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.519 0.727 . . . . 0.0 111.26 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.0 151.63 39.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.084 0.954 . . . . 0.0 112.677 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -122.92 152.7 40.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.469 1.507 . . . . 0.0 112.542 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.85 126.69 30.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.249 1.42 . . . . 0.0 110.353 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.325 0 C-N-CA 125.269 1.414 . . . . 0.0 113.956 178.247 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.36 57.05 6.59 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.748 1.619 . . . . 0.0 113.448 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -136.29 164.81 27.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.091 1.757 . . . . 0.0 113.001 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -152.41 134.73 15.12 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.739 1.615 . . . . 0.0 110.125 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.62 129.1 14.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.573 2.349 . . . . 0.0 108.465 168.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -93.15 150.27 38.88 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 123.601 0.761 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -72.18 138.78 31.23 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.088 2.525 . . . . 0.0 111.422 171.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.23 131.97 84.33 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.574 1.55 . . . . 0.0 111.807 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.79 -9.89 24.62 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.511 3.474 . . . . 0.0 113.879 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -104.6 -45.21 4.68 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.865 1.266 . . . . 0.0 114.005 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.69 -1.85 7.32 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.94 13.92 4.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.129 1.772 . . . . 0.0 114.61 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 148.87 97.59 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 123.939 0.896 . . . . 0.0 110.775 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.29 110.54 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.864 2.376 . . . . 0.0 109.814 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.09 146.26 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.545 1.138 . . . . 0.0 111.214 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.32 106.88 0.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.637 1.175 . . . . 0.0 108.582 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -85.6 133.46 34.05 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.97 0.908 . . . . 0.0 110.954 -172.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -126.51 68.89 68.8 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.82 1.248 . . . . 0.0 110.014 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.34 -25.85 76.66 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.767 2.978 . . . . 0.0 113.924 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -71.08 -20.03 62.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.751 1.62 . . . . 0.0 113.817 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.01 -7.03 12.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.271 1.828 . . . . 0.0 113.585 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 56.4 mttp 51.83 44.34 29.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.529 1.932 . . . . 0.0 112.866 -169.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -121.91 150.63 41.72 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.49 130.76 4.9 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -118.32 120.76 38.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.341 1.056 . . . . 0.0 112.162 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.5 t -59.1 136.84 58.08 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.142 0.577 . . . . 0.0 112.231 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -84.57 -10.49 57.35 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.073 0.949 . . . . 0.0 113.22 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -85.17 119.78 25.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.876 1.271 . . . . 0.0 110.549 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.32 -25.04 64.92 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 -173.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.09 -8.68 57.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.512 1.125 . . . . 0.0 113.943 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 46.8 t -116.49 -64.1 1.36 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.584 1.953 . . . . 0.0 111.175 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.82 47.18 66.1 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.208 1.385 . . . . 0.0 114.271 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.1 t80 -94.49 151.64 19.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.042 1.337 . . . . 0.0 112.028 -169.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -126.38 106.07 9.23 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.582 1.553 . . . . 0.0 109.979 -173.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -127.78 155.78 43.5 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -169.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.26 126.03 30.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.021 1.728 . . . . 0.0 110.344 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.85 -3.48 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -174.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.7 mt -97.55 -36.92 10.15 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.134 0.974 . . . . 0.0 113.452 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -121.62 -1.5 9.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.2 mt 56.54 28.41 13.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.148 1.779 . . . . 0.0 114.395 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -104.43 174.39 5.89 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.54 1.536 . . . . 0.0 110.367 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.09 38.48 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.873 -0.517 . . . . 0.0 111.091 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -58.67 132.16 53.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.307 1.043 . . . . 0.0 113.281 -169.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.25 19.94 8.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.922 1.289 . . . . 0.0 114.107 -174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.2 -123.01 29.83 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.428 1.013 . . . . 0.0 114.015 172.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 68.1 p -87.03 -2.81 58.9 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.56 159.63 32.99 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.922 -1.111 . . . . 0.0 111.617 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.33 146.58 30.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.052 0.941 . . . . 0.0 112.843 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.7 m -71.83 177.19 4.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.68 1.592 . . . . 0.0 113.411 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -131.75 63.76 1.61 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.489 1.916 . . . . 0.0 110.091 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 23.8 mtp-105 -79.27 -18.99 51.68 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.313 1.445 . . . . 0.0 114.703 -169.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 C-N-CA 125.786 1.66 . . . . 0.0 113.626 179.735 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.661 -0.125 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.1 0.19 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.25 1.42 . . . . 0.0 114.645 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -84.46 156.17 21.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.381 1.472 . . . . 0.0 112.463 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -148.31 126.52 12.18 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.374 1.47 . . . . 0.0 110.372 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.9 mt -148.4 132.65 17.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.598 2.359 . . . . 0.0 108.406 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -99.13 148.53 34.73 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 112.248 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.33 135.07 26.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.963 2.442 . . . . 0.0 111.183 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.91 132.77 79.59 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.353 1.461 . . . . 0.0 111.912 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 -11.25 31.44 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.102 3.202 . . . . 0.0 113.587 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -94.63 -47.54 6.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.623 1.169 . . . . 0.0 113.939 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -133.38 2.6 3.55 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -168.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 61.71 13.13 5.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.406 1.882 . . . . 0.0 115.445 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.9 t -60.48 143.89 89.26 Favored Pre-proline 0 CA--C 1.543 0.685 0 O-C-N 121.205 -0.934 . . . . 0.0 111.032 169.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.89 88.83 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.736 2.957 . . . . 0.0 110.487 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.18 149.11 50.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.806 1.643 . . . . 0.0 112.107 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.61 107.44 0.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.691 1.196 . . . . 0.0 109.36 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -86.09 134.08 33.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.981 0.912 . . . . 0.0 111.097 -172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.74 71.52 77.97 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 109.842 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.89 -28.41 81.14 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.61 2.874 . . . . 0.0 113.516 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.41 -17.68 63.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.932 1.693 . . . . 0.0 114.046 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.9 1.25 11.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.389 1.876 . . . . 0.0 113.451 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.3 mttp 45.02 42.33 6.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.811 2.045 . . . . 0.0 113.131 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.4 ttt180 -124.46 150.4 45.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.561 1.544 . . . . 0.0 110.98 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.02 130.63 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 37.8 mt -116.95 123.28 46.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.343 1.057 . . . . 0.0 111.691 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.9 t -58.04 140.97 51.37 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.969 0.89 . . . . 0.0 113.02 -173.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.4 m -89.87 -5.84 56.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.317 1.447 . . . . 0.0 113.23 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -91.05 119.53 31.28 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.424 1.49 . . . . 0.0 110.398 171.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.49 -29.35 68.76 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.51 59.68 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.7 t -97.07 -60.38 1.6 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.296 1.838 . . . . 0.0 111.253 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.64 53.02 34.62 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.224 1.392 . . . . 0.0 114.072 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.403 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 35.3 t80 -99.34 156.78 16.82 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 111.917 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -131.67 106.02 7.89 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.542 1.537 . . . . 0.0 109.858 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -127.02 154.75 44.24 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.74 124.64 27.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.056 1.743 . . . . 0.0 109.955 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.2 m -79.56 -4.28 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 mt -93.51 -36.77 12.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.126 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.8 1.28 7.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.22 31.23 18.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.238 1.815 . . . . 0.0 114.402 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 76.3 m -108.87 173.38 6.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.333 1.453 . . . . 0.0 110.317 171.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.14 135.01 38.52 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.939 -0.475 . . . . 0.0 110.967 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.401 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 83.1 t80 -57.27 131.31 49.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.17 0.988 . . . . 0.0 112.997 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -124.96 19.68 8.4 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.82 -118.19 8.51 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.753 1.168 . . . . 0.0 114.194 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.7 p -87.09 -3.92 59.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.441 1.497 . . . . 0.0 114.954 -178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.16 160.68 31.59 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.108 -0.995 . . . . 0.0 112.168 175.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.64 146.29 34.16 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.259 -0.901 . . . . 0.0 112.979 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.33 162.02 28.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.147 1.379 . . . . 0.0 113.18 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -63.35 147.81 50.11 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.432 1.493 . . . . 0.0 113.001 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -91.9 -30.73 15.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.642 1.177 . . . . 0.0 113.18 174.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 C-N-CA 126.042 1.782 . . . . 0.0 112.405 173.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.298 0.094 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -139.24 154.07 47.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.746 1.618 . . . . 0.0 111.805 -175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -81.23 166.38 20.63 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 113.419 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -86.52 92.47 8.88 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.642 1.177 . . . . 0.0 110.22 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.4 mt -146.72 133.18 19.68 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.429 1.892 . . . . 0.0 109.245 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -104.33 151.32 39.09 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.996 1.318 . . . . 0.0 112.139 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.23 136.25 28.75 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.232 2.622 . . . . 0.0 111.546 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.79 131.72 82.77 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.987 1.315 . . . . 0.0 111.048 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.66 -5.85 14.04 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 124.188 3.259 . . . . 0.0 113.949 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -109.23 -44.7 3.88 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.133 1.373 . . . . 0.0 114.4 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.1 p -123.28 -1.31 8.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 61.34 14.07 5.43 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.41 1.884 . . . . 0.0 114.855 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 16.0 m -65.72 148.7 98.05 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 124.766 1.226 . . . . 0.0 111.274 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.2 93.35 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 110.418 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.41 151.57 43.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.48 1.512 . . . . 0.0 111.667 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.95 107.47 1.0 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.345 1.058 . . . . 0.0 109.442 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -82.48 135.63 35.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.899 0.879 . . . . 0.0 111.067 -175.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.35 70.86 79.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.25 1.42 . . . . 0.0 109.642 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.94 -29.29 81.92 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.54 2.827 . . . . 0.0 113.398 -174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -69.17 -16.97 63.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.972 1.709 . . . . 0.0 114.057 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.0 1.77 11.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.487 1.915 . . . . 0.0 113.392 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 45.44 41.15 6.31 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.516 1.926 . . . . 0.0 112.908 -169.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -126.08 151.37 47.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.516 1.526 . . . . 0.0 110.998 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.11 131.28 5.35 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.62 125.13 51.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.108 0.963 . . . . 0.0 111.506 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.6 140.95 55.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.087 0.946 . . . . 0.0 112.799 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.5 m -88.25 -8.08 55.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.494 1.517 . . . . 0.0 113.195 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -91.34 119.24 31.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.729 1.611 . . . . 0.0 110.279 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.59 -28.82 68.09 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.1 -18.11 59.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.68 -61.33 1.39 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.439 1.896 . . . . 0.0 111.175 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.51 49.82 55.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.202 1.382 . . . . 0.0 114.323 170.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -96.89 154.31 17.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.072 1.349 . . . . 0.0 112.046 -169.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -129.25 105.19 7.98 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.48 1.512 . . . . 0.0 109.66 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.41 154.53 43.48 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.8 t -77.31 126.19 30.53 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.076 1.751 . . . . 0.0 110.01 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -80.77 -4.15 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.21 -34.7 12.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.443 1.097 . . . . 0.0 112.997 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.98 -1.81 7.15 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.4 mt 56.47 30.43 17.09 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.138 1.775 . . . . 0.0 114.366 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.6 m -105.88 173.41 6.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.13 1.372 . . . . 0.0 110.395 170.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.24 135.01 39.06 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.931 0.493 . . . . 0.0 110.888 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.01 129.43 41.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.986 0.914 . . . . 0.0 112.663 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -120.32 17.59 12.25 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -171.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.29 -116.1 4.82 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.042 1.306 . . . . 0.0 114.227 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.8 m -82.51 -6.55 59.38 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -72.46 154.75 40.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.489 1.04 . . . . 0.0 112.083 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -76.63 150.91 36.37 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.494 0.718 . . . . 0.0 111.411 169.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 70.7 m -63.54 152.0 39.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.364 1.065 . . . . 0.0 112.919 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -128.41 156.67 42.79 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.878 1.671 . . . . 0.0 111.793 -171.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.16 4.66 29.49 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 CA-C-O 117.697 -1.613 . . . . 0.0 113.036 -174.142 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -134.17 3.07 3.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -172.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.93 168.25 11.82 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.216 1.406 . . . . 0.0 113.14 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -152.06 142.71 22.79 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.358 1.863 . . . . 0.0 109.224 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt -148.12 149.73 32.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.295 2.638 . . . . 0.0 108.857 169.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 149.23 43.79 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 125.208 1.403 . . . . 0.0 111.25 170.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.59 145.93 48.11 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.82 2.347 . . . . 0.0 112.198 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 4.6 t -60.7 130.93 90.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.62 0.768 . . . . 0.0 111.271 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.01 -11.93 32.2 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.866 3.711 . . . . 0.0 113.939 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -103.1 -43.78 5.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.837 1.255 . . . . 0.0 113.795 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 13.2 p -132.85 0.35 3.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 61.6 23.51 13.79 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.59 1.556 . . . . 0.0 114.568 174.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 p -60.49 156.44 42.51 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 111.614 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.69 68.72 4.54 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.929 3.086 . . . . 0.0 110.687 171.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -55.65 140.22 42.06 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.902 1.681 . . . . 0.0 112.527 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.42 107.22 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.139 1.376 . . . . 0.0 109.639 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.07 134.65 34.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.043 0.937 . . . . 0.0 111.106 -174.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -128.45 70.47 79.69 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.108 1.363 . . . . 0.0 109.769 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.98 -27.54 79.72 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.414 2.743 . . . . 0.0 113.47 -175.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -70.1 -17.02 63.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.837 1.655 . . . . 0.0 114.048 173.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -119.71 2.24 11.11 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.416 1.886 . . . . 0.0 113.468 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 45.23 41.27 5.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.685 1.994 . . . . 0.0 113.238 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 69.2 ttt180 -124.59 151.15 45.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.714 1.606 . . . . 0.0 111.225 -171.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.51 133.08 5.92 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 173.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.64 124.37 47.25 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.267 1.027 . . . . 0.0 111.708 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -58.34 139.28 55.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.5 m -90.58 -2.34 57.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.126 1.37 . . . . 0.0 113.585 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -95.5 117.58 30.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.593 1.557 . . . . 0.0 110.166 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -25.74 65.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.84 60.3 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 26.6 t -109.19 -62.55 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.869 2.067 . . . . 0.0 110.939 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.51 52.72 43.16 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 113.97 170.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -98.32 156.84 16.53 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.365 1.466 . . . . 0.0 112.004 -169.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -130.1 106.33 8.54 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.749 1.62 . . . . 0.0 109.832 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.09 155.08 43.87 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -78.05 126.8 31.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.179 1.792 . . . . 0.0 110.327 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.4 m -81.6 -3.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.23 -35.62 11.76 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.15 0.98 . . . . 0.0 113.155 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.5 p -124.3 -1.89 8.1 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.5 mt 56.46 28.18 13.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.914 1.686 . . . . 0.0 114.227 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.76 174.14 6.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.508 1.523 . . . . 0.0 110.358 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -54.15 137.29 40.88 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.702 -0.623 . . . . 0.0 111.11 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.2 t80 -58.35 133.61 55.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.91 0.884 . . . . 0.0 113.36 -169.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -127.19 22.6 6.58 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.875 1.27 . . . . 0.0 113.91 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.96 -125.59 39.35 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.243 0.925 . . . . 0.0 114.175 170.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.1 p -85.88 -2.62 58.44 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.272 1.429 . . . . 0.0 114.635 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.06 157.78 37.15 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.147 -0.971 . . . . 0.0 111.842 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.72 147.41 31.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.493 1.117 . . . . 0.0 113.272 177.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.39 166.04 19.51 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.304 1.442 . . . . 0.0 113.647 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -67.45 144.87 55.5 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.264 1.426 . . . . 0.0 112.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -137.86 157.92 45.41 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.36 1.864 . . . . 0.0 111.628 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 C-N-CA 125.453 1.502 . . . . 0.0 113.644 -178.906 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.75 150.22 47.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.328 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -138.76 157.78 45.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.292 1.437 . . . . 0.0 112.205 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -154.22 137.45 15.68 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.562 1.945 . . . . 0.0 109.089 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 95.3 mt -148.54 140.44 23.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.695 2.398 . . . . 0.0 108.81 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -104.28 150.56 38.54 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.656 1.183 . . . . 0.0 112.588 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -70.21 137.21 33.62 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.35 2.7 . . . . 0.0 111.474 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 28.7 t -56.34 130.24 75.3 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.301 1.44 . . . . 0.0 111.244 169.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.67 -8.57 23.65 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.76 2.973 . . . . 0.0 113.384 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -97.56 -50.42 4.5 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 113.939 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.8 p -124.13 0.68 8.48 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -169.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 61.41 10.95 3.42 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.31 2.244 . . . . 0.0 116.203 172.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.8 m -74.36 151.21 87.6 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 121.06 -1.025 . . . . 0.0 111.616 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -67.62 104.05 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.55 2.833 . . . . 0.0 110.769 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.87 154.22 29.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.034 1.734 . . . . 0.0 111.618 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.01 108.49 1.23 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.405 1.082 . . . . 0.0 109.43 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -87.77 134.23 33.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.906 0.883 . . . . 0.0 111.534 -172.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -128.53 69.2 78.98 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.309 1.443 . . . . 0.0 109.85 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.1 -25.85 77.67 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 124.069 3.179 . . . . 0.0 114.366 -173.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.35 -21.89 60.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.112 1.765 . . . . 0.0 113.731 174.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -111.03 0.55 16.99 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.463 1.905 . . . . 0.0 113.227 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.75 39.61 5.41 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.97 2.108 . . . . 0.0 113.495 -169.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -121.41 150.22 41.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.542 1.537 . . . . 0.0 111.024 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.34 133.54 6.2 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.8 mt -118.89 122.75 43.02 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.262 1.025 . . . . 0.0 111.822 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 37.2 t -57.37 141.39 47.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.192 0.996 . . . . 0.0 113.115 -174.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 46.7 p -84.35 -11.25 56.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.249 1.819 . . . . 0.0 113.787 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -95.11 119.14 33.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.945 1.698 . . . . 0.0 110.8 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.15 -26.56 65.84 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.9 -9.37 58.64 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.27 -59.97 1.9 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.936 2.094 . . . . 0.0 110.552 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.39 52.37 37.38 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.618 1.58 . . . . 0.0 113.971 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.3 t80 -97.27 149.33 22.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.985 1.314 . . . . 0.0 111.578 -169.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -125.33 105.68 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.481 1.512 . . . . 0.0 109.057 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.04 154.27 43.24 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -168.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.08 123.6 27.05 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.777 1.631 . . . . 0.0 109.607 169.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.34 -5.53 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.17 -31.62 12.89 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.689 1.196 . . . . 0.0 112.909 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.57 0.27 5.55 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.34 31.9 19.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.527 1.931 . . . . 0.0 114.693 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.9 m -106.46 174.04 6.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.394 1.478 . . . . 0.0 110.303 169.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.62 137.15 37.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.795 -0.566 . . . . 0.0 110.888 172.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.34 127.14 30.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.09 0.956 . . . . 0.0 111.972 -170.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -118.81 16.55 13.51 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -168.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.13 -114.83 4.0 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.736 1.16 . . . . 0.0 114.309 169.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.6 p -86.48 -6.76 58.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -74.89 162.08 28.95 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.101 -0.999 . . . . 0.0 111.646 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.96 157.13 26.94 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.194 -0.941 . . . . 0.0 113.314 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 95.0 m -71.58 174.9 6.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.758 1.623 . . . . 0.0 113.09 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 75.9 mmt-85 -68.16 136.53 53.8 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.953 1.301 . . . . 0.0 110.894 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -129.06 157.53 41.48 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.989 1.716 . . . . 0.0 111.926 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 C-N-CA 125.521 1.534 . . . . 0.0 112.718 179.632 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.72 -2.71 24.56 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.621 1.169 . . . . 0.0 113.863 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -80.52 162.86 24.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.528 . . . . 0.0 111.985 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -77.03 84.14 3.54 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.542 -0.724 . . . . 0.0 110.228 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.3 mt -150.15 127.36 11.31 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.94 2.096 . . . . 0.0 108.776 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -98.98 151.6 37.45 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 124.279 1.032 . . . . 0.0 112.025 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.99 132.32 21.14 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.252 2.634 . . . . 0.0 111.082 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.39 130.92 70.1 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.572 1.549 . . . . 0.0 111.601 171.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.78 -7.88 22.18 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.681 2.921 . . . . 0.0 113.577 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -95.2 -51.52 4.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.891 1.277 . . . . 0.0 113.814 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 19.6 p -123.0 -1.62 8.8 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -168.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.43 13.54 5.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.802 2.041 . . . . 0.0 114.843 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.71 97.61 Favored Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.609 1.164 . . . . 0.0 111.316 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.96 105.26 0.79 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.06 2.507 . . . . 0.0 110.155 173.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.35 149.61 27.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.841 1.256 . . . . 0.0 111.648 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 108.53 1.28 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.777 1.231 . . . . 0.0 109.225 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.9 135.97 34.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.88 0.872 . . . . 0.0 111.262 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -127.51 70.55 76.49 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.772 1.229 . . . . 0.0 109.958 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -62.57 -25.77 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.677 2.918 . . . . 0.0 113.926 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -71.94 -18.85 61.98 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.819 1.647 . . . . 0.0 113.908 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -117.37 -7.88 11.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.169 1.788 . . . . 0.0 113.827 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 51.57 46.32 26.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.361 1.864 . . . . 0.0 112.71 -169.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -124.04 150.73 44.58 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.136 1.774 . . . . 0.0 110.724 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.76 130.54 4.76 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.0 0.809 . . . . 0.0 111.104 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 46.6 mt -119.22 124.67 47.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.421 1.088 . . . . 0.0 112.351 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' CYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.8 t -61.09 145.39 51.07 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.09 -12.48 41.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.039 1.336 . . . . 0.0 113.276 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -88.53 119.16 28.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 110.634 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.67 -29.34 68.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.56 -18.36 58.71 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 40.5 t -97.03 -58.38 2.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.407 1.883 . . . . 0.0 111.643 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.65 57.23 9.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.123 1.82 . . . . 0.0 114.174 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' PHE . . . . . 0.421 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.2 t80 -104.44 154.12 20.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.728 1.211 . . . . 0.0 112.249 -169.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -132.72 106.51 7.81 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -126.81 155.33 43.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -168.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.6 t -77.38 124.56 28.04 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.626 1.57 . . . . 0.0 110.023 169.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.47 -5.57 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.51 -38.01 9.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.054 . . . . 0.0 113.573 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.4 p -119.71 -0.54 10.73 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.6 mt 55.37 30.88 15.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.43 1.892 . . . . 0.0 114.472 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.0 m -108.78 174.76 5.73 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.528 1.531 . . . . 0.0 110.238 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.76 134.17 36.65 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.938 -0.476 . . . . 0.0 111.109 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.12 131.65 51.16 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.502 1.121 . . . . 0.0 113.094 -169.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -124.43 19.44 8.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.915 1.286 . . . . 0.0 113.999 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.23 -124.17 29.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.637 1.113 . . . . 0.0 113.936 172.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.7 m -83.72 -3.61 57.93 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.88 161.07 30.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.43 1.092 . . . . 0.0 111.938 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 144.67 32.91 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.989 -1.07 . . . . 0.0 113.655 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 98.4 m -71.25 155.96 40.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.363 1.465 . . . . 0.0 113.573 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -72.75 154.07 40.84 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.743 1.217 . . . . 0.0 112.991 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -76.77 -30.79 56.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.619 1.168 . . . . 0.0 113.17 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.837 1.684 . . . . 0.0 112.729 178.842 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -82.48 142.1 32.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.007 0.923 . . . . 0.0 112.084 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.28 151.49 42.07 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.526 1.53 . . . . 0.0 111.737 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -95.49 92.68 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.515 1.126 . . . . 0.0 109.764 170.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 81.0 mt -146.86 153.02 39.66 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.936 2.094 . . . . 0.0 109.211 170.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.76 153.53 52.43 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.573 1.549 . . . . 0.0 112.286 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.58 138.45 29.49 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.385 2.723 . . . . 0.0 111.671 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.94 132.69 86.96 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.92 1.688 . . . . 0.0 112.015 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.47 -10.1 27.26 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.824 3.016 . . . . 0.0 113.653 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -92.35 -51.01 5.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.357 1.063 . . . . 0.0 113.65 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.3 p -125.27 -2.34 7.55 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -168.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 61.61 14.68 6.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.36 1.864 . . . . 0.0 114.648 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 48.8 m -64.31 148.79 95.6 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.795 0.838 . . . . 0.0 111.083 171.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.33 106.52 1.04 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 123.364 2.709 . . . . 0.0 110.127 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.62 147.05 26.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.94 1.296 . . . . 0.0 111.989 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -58.8 107.54 0.53 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.473 1.509 . . . . 0.0 109.101 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.2 132.71 33.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.106 0.562 . . . . 0.0 111.256 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -129.24 67.41 78.57 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.146 1.379 . . . . 0.0 109.991 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.29 -22.77 72.27 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.854 3.036 . . . . 0.0 114.271 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -73.18 -22.89 60.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.834 1.653 . . . . 0.0 113.664 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.91 0.76 18.78 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.534 1.934 . . . . 0.0 113.209 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm 46.07 39.58 6.03 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.114 2.166 . . . . 0.0 113.449 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.8 ttt180 -121.14 149.14 43.23 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.687 1.595 . . . . 0.0 111.217 -172.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.09 133.39 5.99 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.0 123.47 42.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.305 1.042 . . . . 0.0 112.176 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.73 141.48 57.84 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.613 0.72 . . . . 0.0 112.717 -177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 t -82.46 -21.06 35.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.695 1.198 . . . . 0.0 112.808 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -82.38 119.33 24.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 111.013 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.66 -25.69 64.94 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.12 59.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.494 1.117 . . . . 0.0 113.863 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 43.9 t -111.87 -59.47 1.98 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.754 2.022 . . . . 0.0 111.492 -175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.35 57.09 10.84 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.914 1.721 . . . . 0.0 114.037 170.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -103.92 153.45 20.77 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.797 1.239 . . . . 0.0 112.052 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -132.04 106.22 7.88 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.683 1.593 . . . . 0.0 109.412 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.73 154.58 43.98 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.36 122.66 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.698 1.599 . . . . 0.0 109.336 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 19.0 m -77.43 -7.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.3 mt -94.52 -32.31 13.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.741 1.217 . . . . 0.0 113.167 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -127.96 0.86 5.95 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.6 mt 56.18 33.06 21.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.559 1.944 . . . . 0.0 114.427 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 82.5 m -111.23 173.64 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.613 1.565 . . . . 0.0 110.267 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.45 38.55 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.811 -0.556 . . . . 0.0 111.107 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.8 t80 -57.4 133.6 55.31 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.102 0.961 . . . . 0.0 113.332 -169.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -126.93 21.06 6.93 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.724 1.21 . . . . 0.0 114.084 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.43 -126.33 40.72 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.471 1.034 . . . . 0.0 114.024 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.5 p -85.74 -2.54 58.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.317 1.447 . . . . 0.0 114.801 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.25 158.98 33.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.063 -1.023 . . . . 0.0 111.956 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.03 143.89 43.31 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.089 -1.007 . . . . 0.0 113.014 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.69 161.6 29.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.044 1.338 . . . . 0.0 113.4 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -67.17 167.32 12.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.845 1.658 . . . . 0.0 113.133 171.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -77.32 163.83 26.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.527 1.131 . . . . 0.0 111.787 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 C-N-CA 125.841 1.686 . . . . 0.0 113.672 -179.789 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -91.34 150.08 40.77 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.403 0.681 . . . . 0.0 112.38 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.71 135.32 25.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.154 2.569 . . . . 0.0 111.316 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 20.9 t -57.08 131.4 80.22 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.632 1.573 . . . . 0.0 111.623 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.05 -8.95 24.87 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.733 2.955 . . . . 0.0 113.516 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.24 -51.34 4.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.836 1.254 . . . . 0.0 113.757 173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.04 -2.16 8.71 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.23 13.6 4.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.622 1.969 . . . . 0.0 114.774 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.7 m -66.27 149.94 97.42 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 124.502 1.121 . . . . 0.0 111.146 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.5 106.53 0.88 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.812 2.341 . . . . 0.0 110.107 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.96 149.84 27.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.791 1.236 . . . . 0.0 111.212 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.28 106.76 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 108.895 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -83.78 134.23 34.74 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.776 0.83 . . . . 0.0 111.054 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.72 70.43 77.11 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.252 1.421 . . . . 0.0 109.652 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.19 -27.62 78.69 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.563 2.842 . . . . 0.0 113.418 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.08 -17.08 63.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.786 1.634 . . . . 0.0 114.045 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.04 2.45 10.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.454 1.901 . . . . 0.0 113.422 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.77 41.56 5.17 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.803 2.041 . . . . 0.0 113.264 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -124.48 151.39 44.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.646 1.578 . . . . 0.0 111.331 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.47 133.48 5.97 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.4 mt -119.54 123.67 44.54 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.486 1.115 . . . . 0.0 112.213 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.7 t -61.11 144.98 52.54 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.31 -12.19 41.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.002 1.321 . . . . 0.0 113.294 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -88.73 119.1 28.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.213 1.405 . . . . 0.0 110.607 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.67 -29.15 68.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -172.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.12 59.08 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.11 -58.43 1.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.461 1.905 . . . . 0.0 111.812 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.1 60.53 6.06 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.28 1.895 . . . . 0.0 114.227 170.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.423 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.3 t80 -107.98 153.48 23.02 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.815 1.246 . . . . 0.0 112.376 -169.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -133.1 106.53 7.68 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.795 1.638 . . . . 0.0 109.082 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -127.14 155.05 43.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -168.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.6 124.48 27.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.908 1.683 . . . . 0.0 110.026 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.46 -3.28 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.8 mt -95.82 -37.03 10.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.233 1.013 . . . . 0.0 113.231 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -122.14 -1.57 9.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.3 mt 56.01 31.16 17.47 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.301 1.841 . . . . 0.0 114.3 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.5 m -107.37 173.45 6.32 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.322 1.449 . . . . 0.0 110.285 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.87 40.66 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.958 -0.464 . . . . 0.0 110.947 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -56.63 131.95 50.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.402 1.081 . . . . 0.0 113.337 -169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.4 p80 . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 124.818 1.247 . . . . 0.0 114.056 -175.037 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.2 147.56 33.24 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 123.148 0.579 . . . . 0.0 112.047 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.31 137.38 30.91 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.996 2.464 . . . . 0.0 111.213 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.27 131.0 80.84 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.206 1.402 . . . . 0.0 111.701 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.9 -10.4 25.1 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.75 3.633 . . . . 0.0 113.951 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -103.55 -45.13 4.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.909 1.283 . . . . 0.0 113.803 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 11.9 p -131.34 1.73 4.17 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 61.98 11.94 4.56 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.6 1.96 . . . . 0.0 115.417 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.2 t -60.33 142.97 89.9 Favored Pre-proline 0 CA--C 1.542 0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 111.018 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.73 102.5 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.15 2.567 . . . . 0.0 110.079 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.5 41.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 111.55 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.73 106.12 0.64 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.641 1.176 . . . . 0.0 108.623 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -84.4 132.7 34.56 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.896 0.878 . . . . 0.0 110.89 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.29 69.41 60.53 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.921 1.288 . . . . 0.0 109.941 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.44 -26.1 76.39 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.725 2.95 . . . . 0.0 113.877 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -71.13 -20.03 62.37 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.847 1.659 . . . . 0.0 113.901 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.94 -7.82 12.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.212 1.805 . . . . 0.0 113.566 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.8 45.35 28.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.573 1.949 . . . . 0.0 112.683 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -123.11 150.51 43.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.095 1.758 . . . . 0.0 110.71 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.49 4.39 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -116.9 121.59 41.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.28 1.032 . . . . 0.0 112.197 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 35.7 t -57.68 143.76 40.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.868 0.867 . . . . 0.0 113.209 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.6 t -90.95 -10.45 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.617 1.167 . . . . 0.0 113.381 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.51 118.3 24.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.592 1.157 . . . . 0.0 110.273 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.96 -25.71 64.68 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.39 -11.64 59.93 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.342 1.057 . . . . 0.0 113.788 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.3 t -109.06 -64.27 1.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.812 2.045 . . . . 0.0 111.047 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.98 50.04 56.54 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.097 1.332 . . . . 0.0 113.961 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.1 t80 -96.34 155.3 16.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.266 1.426 . . . . 0.0 112.248 -169.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -129.27 106.15 8.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.786 1.634 . . . . 0.0 110.004 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -128.37 156.26 43.39 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 31.9 t -75.99 124.36 27.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.077 1.751 . . . . 0.0 110.406 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.89 -4.14 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.9 -36.5 10.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.965 0.906 . . . . 0.0 113.12 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.44 -0.08 7.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 90.6 mt 57.84 29.22 17.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.563 1.945 . . . . 0.0 115.303 171.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.15 176.85 4.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.803 1.241 . . . . 0.0 110.258 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.8 134.94 30.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.345 0.658 . . . . 0.0 111.355 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -58.42 131.15 49.84 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.382 1.073 . . . . 0.0 113.066 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 124.937 1.295 . . . . 0.0 114.021 -174.448 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -96.13 152.08 38.63 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.146 0.978 . . . . 0.0 112.365 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.59 134.82 22.95 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.423 2.749 . . . . 0.0 111.431 172.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.03 132.21 83.69 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.867 1.667 . . . . 0.0 111.935 171.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.79 -10.28 28.14 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.949 3.099 . . . . 0.0 113.537 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -92.48 -50.94 5.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.506 1.122 . . . . 0.0 113.673 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.23 -2.26 7.58 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -168.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.89 13.95 4.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.457 1.903 . . . . 0.0 114.619 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 40.3 m -64.89 149.98 95.61 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.903 170.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.73 108.62 1.09 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.794 2.329 . . . . 0.0 110.051 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.6 146.21 28.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.765 1.226 . . . . 0.0 111.128 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.68 107.05 0.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.731 1.212 . . . . 0.0 108.766 172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -85.42 134.41 34.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.876 0.87 . . . . 0.0 111.065 -171.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -128.38 70.13 79.17 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.114 1.366 . . . . 0.0 109.781 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.01 -27.68 79.74 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.551 2.834 . . . . 0.0 113.589 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.29 -18.28 63.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.897 1.679 . . . . 0.0 114.049 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.48 1.81 11.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.575 1.95 . . . . 0.0 113.291 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 44.34 42.1 5.02 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.147 2.179 . . . . 0.0 113.244 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -123.35 151.73 42.22 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.683 1.593 . . . . 0.0 111.101 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.89 133.37 5.84 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.51 122.38 41.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.537 1.135 . . . . 0.0 112.138 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.1 t -60.94 139.22 58.08 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.485 0.66 . . . . 0.0 112.576 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.2 t -81.06 -20.99 40.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.583 1.153 . . . . 0.0 112.848 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -80.94 118.94 22.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.992 1.317 . . . . 0.0 110.968 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.65 -25.39 64.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.0 -10.53 59.49 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.538 1.135 . . . . 0.0 113.809 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 41.2 t -111.89 -59.28 2.01 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.691 1.996 . . . . 0.0 111.48 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.15 53.53 27.06 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.82 1.676 . . . . 0.0 114.268 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -101.28 153.58 19.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.815 1.246 . . . . 0.0 112.222 -169.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -132.35 106.46 7.91 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.606 1.562 . . . . 0.0 109.459 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -128.19 155.08 45.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -168.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.23 125.13 28.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.113 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.05 -5.85 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.77 -38.54 11.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.044 0.938 . . . . 0.0 113.431 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.1 p -120.05 -0.48 10.56 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 55.54 31.61 17.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.4 1.88 . . . . 0.0 114.237 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -110.85 173.85 6.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.366 1.467 . . . . 0.0 110.224 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.79 133.85 36.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.967 0.507 . . . . 0.0 111.082 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -56.69 133.75 54.19 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.347 1.059 . . . . 0.0 113.45 -169.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 CA--C 1.545 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 114.101 -173.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.25 153.13 39.74 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.79 1.236 . . . . 0.0 112.3 173.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -72.68 135.9 24.69 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.455 2.77 . . . . 0.0 111.452 170.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 7.3 t -58.04 133.33 83.87 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.486 1.514 . . . . 0.0 111.922 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.0 -12.07 33.4 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.058 3.172 . . . . 0.0 113.524 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -92.87 -49.67 5.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.565 1.146 . . . . 0.0 113.722 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.59 0.77 4.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -167.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.94 14.01 6.04 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.372 1.869 . . . . 0.0 115.239 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.0 t -59.53 143.52 85.99 Favored Pre-proline 0 CA--C 1.543 0.68 0 O-C-N 121.21 -0.932 . . . . 0.0 111.096 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.76 90.12 0.42 Allowed 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.802 3.002 . . . . 0.0 110.464 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -72.43 148.45 45.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.199 1.8 . . . . 0.0 112.451 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -58.22 104.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.848 1.659 . . . . 0.0 108.999 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.84 130.11 35.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.629 0.772 . . . . 0.0 110.98 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.78 66.1 74.44 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.881 1.272 . . . . 0.0 110.656 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.79 -20.81 64.98 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 124.121 3.214 . . . . 0.0 114.435 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -71.7 -24.0 61.74 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.315 1.446 . . . . 0.0 113.311 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.54 -6.79 17.82 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.504 1.922 . . . . 0.0 113.26 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 52.49 39.2 27.39 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.792 2.037 . . . . 0.0 112.975 -168.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -119.35 149.27 42.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.857 1.663 . . . . 0.0 110.893 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.28 131.71 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.41 123.96 45.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.293 1.037 . . . . 0.0 111.859 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.1 t -58.8 140.68 54.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.92 0.867 . . . . 0.0 112.779 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.2 m -87.77 -6.02 58.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.304 1.441 . . . . 0.0 113.226 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -93.97 120.48 34.28 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.749 1.62 . . . . 0.0 110.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.85 -30.33 68.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.87 59.12 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.45 -56.69 3.21 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.267 1.827 . . . . 0.0 111.054 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.36 54.7 22.77 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.734 1.635 . . . . 0.0 113.99 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.402 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -102.02 153.95 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.789 1.236 . . . . 0.0 112.109 -169.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -130.96 106.65 8.55 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.614 1.565 . . . . 0.0 109.183 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -126.11 154.43 43.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.7 t -78.14 123.79 27.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.329 1.452 . . . . 0.0 109.48 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.29 -4.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.35 -32.87 11.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.89 1.276 . . . . 0.0 113.296 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.84 -0.03 7.33 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.1 mt 56.34 29.51 15.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.277 1.831 . . . . 0.0 114.602 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 77.8 m -104.2 174.21 5.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.724 1.61 . . . . 0.0 110.376 170.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.35 38.76 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.853 -0.529 . . . . 0.0 110.851 172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -58.88 132.22 53.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.323 1.049 . . . . 0.0 113.036 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 124.699 1.2 . . . . 0.0 114.065 -171.494 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -77.21 149.0 78.82 Favored Pre-proline 0 N--CA 1.472 0.672 0 O-C-N 121.939 -0.476 . . . . 0.0 112.112 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.54 136.86 29.3 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.06 2.507 . . . . 0.0 111.153 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 9.9 t -56.4 131.26 76.3 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.784 1.634 . . . . 0.0 111.676 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.02 -9.21 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.099 3.199 . . . . 0.0 113.465 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -99.71 -46.72 5.33 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.751 1.22 . . . . 0.0 113.786 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.2 p -127.66 -1.37 6.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 61.31 13.39 4.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.281 1.832 . . . . 0.0 114.679 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -65.21 148.37 97.96 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 123.907 0.883 . . . . 0.0 110.687 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.06 113.6 2.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 109.795 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.76 148.92 26.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.576 1.151 . . . . 0.0 111.323 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -63.42 105.69 0.8 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.603 1.161 . . . . 0.0 108.31 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -83.84 133.1 34.76 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.8 0.84 . . . . 0.0 111.006 -172.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.75 69.05 75.8 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.143 1.377 . . . . 0.0 109.865 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.29 -26.84 77.5 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.527 2.818 . . . . 0.0 113.644 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -70.13 -19.56 63.22 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.811 1.644 . . . . 0.0 113.953 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -116.17 1.79 13.23 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.512 1.925 . . . . 0.0 113.268 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.2 mttp 44.4 42.29 5.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.23 2.212 . . . . 0.0 113.377 -169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -123.21 150.47 43.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.763 1.625 . . . . 0.0 111.007 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.55 131.18 5.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -117.47 119.55 35.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.352 1.061 . . . . 0.0 111.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.4 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 25.7 t -58.36 135.0 57.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.211 0.604 . . . . 0.0 112.2 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.1 t -82.01 -11.25 58.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.987 0.915 . . . . 0.0 113.207 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -84.93 117.93 24.23 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.982 1.313 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.68 -23.74 64.43 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.4 -9.71 58.81 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.492 1.117 . . . . 0.0 113.874 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.0 t -115.52 -63.93 1.39 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.744 2.018 . . . . 0.0 111.148 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.07 47.77 65.62 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.12 1.343 . . . . 0.0 114.289 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 40.4 t80 -94.87 150.53 20.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.938 1.295 . . . . 0.0 111.729 -170.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -125.82 106.1 9.43 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.62 1.568 . . . . 0.0 109.915 -172.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -127.83 155.54 43.94 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -168.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.3 t -77.21 124.82 28.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.174 1.789 . . . . 0.0 110.248 170.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.72 -3.34 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 46.9 mt -95.28 -37.6 10.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.049 0.94 . . . . 0.0 113.313 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.6 -4.77 9.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.3 mt 58.69 30.48 20.0 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.022 1.729 . . . . 0.0 114.499 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 95.5 m -106.73 174.28 5.96 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.126 1.37 . . . . 0.0 110.222 169.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.06 135.9 36.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.983 0.513 . . . . 0.0 111.119 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 81.1 t80 -57.28 133.13 54.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.201 1.001 . . . . 0.0 113.334 -169.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.3 p80 . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 124.907 1.283 . . . . 0.0 113.88 -175.32 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 122.171 0.986 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 582' ' ' TYR . 32.1 mttm -79.63 148.47 69.53 Favored Pre-proline 0 N--CA 1.471 0.616 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.235 -171.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.893 2.395 . . . . 0.0 110.919 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 12.4 t -52.79 130.89 47.57 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.863 1.665 . . . . 0.0 111.756 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -69.55 -6.81 19.39 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 113.492 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -96.19 -51.53 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.859 1.263 . . . . 0.0 113.871 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.8 p -123.43 -1.47 8.59 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 61.64 13.79 5.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.869 2.067 . . . . 0.0 114.832 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.47 149.23 98.23 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.585 1.154 . . . . 0.0 111.434 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 104.7 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.056 2.504 . . . . 0.0 110.263 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.91 150.55 32.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.54 110.0 1.84 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.489 1.116 . . . . 0.0 108.928 172.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . 0.413 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 10.6 t80 -85.74 134.57 33.95 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.816 0.846 . . . . 0.0 111.412 -172.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.69 70.58 77.14 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.264 1.426 . . . . 0.0 109.756 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -62.05 -27.95 79.78 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.583 2.855 . . . . 0.0 113.473 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -69.68 -16.32 63.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.748 1.619 . . . . 0.0 114.059 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.86 2.08 10.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.49 1.916 . . . . 0.0 113.498 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 45.01 41.41 5.36 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.602 1.961 . . . . 0.0 113.139 -169.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -124.94 150.6 46.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.633 1.573 . . . . 0.0 111.167 -171.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.18 131.96 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.38 124.27 47.31 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.542 1.137 . . . . 0.0 111.991 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.422 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.6 t -60.83 143.93 53.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -175.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.1 t -83.27 -21.37 33.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.003 1.321 . . . . 0.0 112.892 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -82.2 118.44 23.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.093 1.357 . . . . 0.0 110.728 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.23 -28.56 67.34 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.89 -18.43 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.21 -58.34 2.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.453 1.901 . . . . 0.0 111.52 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.14 55.88 14.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.13 1.824 . . . . 0.0 113.992 170.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.422 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.9 t80 -103.54 154.32 19.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.808 1.243 . . . . 0.0 112.419 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -133.19 105.79 7.21 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.709 1.604 . . . . 0.0 109.238 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -127.37 155.45 43.58 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -76.46 123.23 25.7 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.672 1.589 . . . . 0.0 110.011 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.44 -7.59 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -91.81 -38.21 12.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.91 0.884 . . . . 0.0 113.209 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.48 0.37 8.24 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.79 33.41 23.19 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.579 1.951 . . . . 0.0 115.038 170.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.71 174.57 5.86 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.038 1.335 . . . . 0.0 110.277 169.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.19 134.44 33.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.109 0.564 . . . . 0.0 111.136 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.45 130.22 43.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.282 1.033 . . . . 0.0 112.916 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -170.123 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -88.67 149.4 43.96 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 123.407 0.683 . . . . 0.0 112.236 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -70.69 136.35 30.33 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.193 2.595 . . . . 0.0 111.237 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 33.0 t -57.03 130.66 79.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.501 1.52 . . . . 0.0 111.888 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.05 -10.5 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.908 3.072 . . . . 0.0 113.483 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.88 -50.42 5.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.608 1.163 . . . . 0.0 113.857 172.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.84 0.87 6.02 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 61.35 10.58 3.17 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.084 2.153 . . . . 0.0 116.13 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 2.9 m -73.45 152.03 89.74 Favored Pre-proline 0 N--CA 1.474 0.726 0 O-C-N 121.091 -1.006 . . . . 0.0 110.686 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.11 111.35 1.74 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.2 2.6 . . . . 0.0 110.414 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -80.24 149.24 30.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.253 1.421 . . . . 0.0 111.033 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -63.48 110.28 1.91 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.073 0.949 . . . . 0.0 108.793 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -86.75 135.13 33.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.862 0.865 . . . . 0.0 111.156 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -128.47 69.93 79.32 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.229 1.411 . . . . 0.0 109.737 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.38 -26.9 77.06 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.466 2.777 . . . . 0.0 113.481 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -70.0 -17.24 63.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.734 1.614 . . . . 0.0 114.045 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.91 2.5 11.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.539 1.936 . . . . 0.0 113.392 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.95 41.37 5.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.901 2.081 . . . . 0.0 113.317 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -124.08 151.75 43.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.793 1.637 . . . . 0.0 111.357 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.67 133.47 5.76 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -119.88 123.13 42.85 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.631 1.172 . . . . 0.0 112.468 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.2 t -60.33 143.08 53.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.2 t -81.2 -23.74 37.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.827 1.251 . . . . 0.0 112.829 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -80.12 120.05 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.571 1.149 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.66 -30.4 69.93 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.09 -18.04 60.34 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.03 -58.5 2.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.415 1.886 . . . . 0.0 111.086 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.85 52.5 30.02 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.884 1.707 . . . . 0.0 113.956 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -99.35 153.63 18.82 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.688 1.195 . . . . 0.0 112.303 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -133.34 106.86 7.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.717 1.607 . . . . 0.0 109.485 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -128.69 154.82 45.92 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -168.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.0 t -76.39 124.83 28.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.863 1.665 . . . . 0.0 109.994 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.0 m -79.6 -2.48 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.2 mt -96.67 -38.35 9.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.218 1.007 . . . . 0.0 113.29 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.64 -0.52 10.78 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.8 mt 55.22 32.36 18.37 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.371 1.869 . . . . 0.0 114.147 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.1 m -112.68 173.83 6.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.266 1.427 . . . . 0.0 110.106 172.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.68 133.68 36.42 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.06 0.544 . . . . 0.0 111.183 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -56.18 133.37 52.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.367 1.067 . . . . 0.0 113.514 -169.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 124.802 1.241 . . . . 0.0 114.063 -174.534 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.43 150.89 39.7 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 124.18 0.992 . . . . 0.0 112.068 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.93 136.61 27.81 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.09 2.527 . . . . 0.0 111.617 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.0 t -56.96 130.69 79.42 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.702 1.601 . . . . 0.0 111.724 171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.87 -10.92 29.62 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.986 3.124 . . . . 0.0 113.528 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -93.34 -49.15 6.08 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.59 1.156 . . . . 0.0 113.638 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 8.1 p -129.99 0.77 4.77 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -167.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 62.78 13.71 6.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.705 2.002 . . . . 0.0 115.435 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 53.6 m -61.52 148.32 86.51 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 121.282 -0.886 . . . . 0.0 111.329 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -65.78 103.14 0.56 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.748 2.299 . . . . 0.0 109.812 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -79.24 145.4 33.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.473 1.109 . . . . 0.0 111.165 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -62.66 109.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.145 0.978 . . . . 0.0 109.081 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.22 135.42 33.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.976 0.91 . . . . 0.0 111.402 -171.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -129.01 70.23 81.45 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 125.218 1.407 . . . . 0.0 109.479 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.15 -28.07 79.35 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.508 2.805 . . . . 0.0 113.561 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -69.74 -18.53 63.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.941 1.696 . . . . 0.0 113.921 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.84 2.07 12.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.524 1.93 . . . . 0.0 113.247 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 43.93 42.68 4.8 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.081 2.152 . . . . 0.0 113.482 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -123.65 150.35 44.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.654 1.582 . . . . 0.0 111.309 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.31 133.07 5.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.11 0.862 . . . . 0.0 110.998 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.92 123.1 43.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.537 1.135 . . . . 0.0 112.307 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 31.4 t -60.44 145.34 48.55 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -89.26 -13.33 38.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.022 1.329 . . . . 0.0 113.353 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -87.77 119.47 28.13 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.0 -26.42 65.01 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -172.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.37 -10.54 59.51 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.417 1.087 . . . . 0.0 113.879 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.8 t -108.74 -59.74 1.84 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.806 2.042 . . . . 0.0 111.316 -175.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.9 56.05 15.67 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.879 1.704 . . . . 0.0 114.272 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.419 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.1 t80 -102.87 153.64 20.0 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.83 1.252 . . . . 0.0 112.36 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -132.27 105.65 7.45 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.71 1.604 . . . . 0.0 109.239 -173.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.11 155.46 43.29 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -168.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.23 124.27 27.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.265 1.826 . . . . 0.0 110.221 169.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.3 m -79.71 -1.74 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -174.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.2 mt -97.05 -37.36 10.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.282 1.033 . . . . 0.0 113.422 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.99 -2.09 9.77 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.8 mt 56.36 30.73 17.4 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.177 1.791 . . . . 0.0 114.153 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -107.87 173.75 6.18 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.462 1.505 . . . . 0.0 110.361 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.22 135.18 38.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.835 -0.54 . . . . 0.0 111.189 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.79 134.54 55.16 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.413 1.085 . . . . 0.0 113.92 -169.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.5 p80 . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 125.136 1.375 . . . . 0.0 113.775 -176.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.49 150.36 56.78 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 123.007 0.523 . . . . 0.0 112.241 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.06 132.04 20.52 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.187 2.592 . . . . 0.0 110.951 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 15.5 t -55.16 131.61 68.79 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.954 1.702 . . . . 0.0 111.754 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.24 -9.13 25.48 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.842 3.028 . . . . 0.0 113.369 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.71 -51.33 4.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 113.824 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.9 p -123.78 -1.57 8.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -168.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 61.38 13.39 4.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.777 2.031 . . . . 0.0 114.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.5 97.8 Favored Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.521 1.129 . . . . 0.0 111.223 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.94 106.89 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.857 2.371 . . . . 0.0 110.312 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.47 147.54 27.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.942 1.297 . . . . 0.0 111.414 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.52 107.47 0.8 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.837 1.255 . . . . 0.0 109.135 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.12 133.67 33.86 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.825 0.85 . . . . 0.0 111.493 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -128.29 69.62 78.41 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.259 1.424 . . . . 0.0 109.812 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.09 -25.53 77.44 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.0 3.134 . . . . 0.0 114.28 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.76 -22.54 59.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.175 1.79 . . . . 0.0 113.783 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -110.98 0.82 17.14 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.459 1.904 . . . . 0.0 113.296 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.78 40.09 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.146 2.179 . . . . 0.0 113.567 -170.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 64.6 ttt180 -121.55 150.2 42.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.562 1.545 . . . . 0.0 111.143 -172.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.2 132.44 5.34 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 48.3 mt -118.82 123.19 44.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 112.3 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 20.9 t -61.35 144.08 54.61 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.8 t -84.67 -21.04 30.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.06 1.344 . . . . 0.0 112.891 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -81.94 118.48 22.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.1 1.36 . . . . 0.0 110.814 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.8 -29.14 68.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.58 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.4 t -96.41 -58.35 2.09 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.402 1.881 . . . . 0.0 111.525 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.16 59.84 6.64 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.206 1.86 . . . . 0.0 113.995 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.42 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.4 t80 -107.53 152.97 23.53 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.873 1.269 . . . . 0.0 112.197 -169.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -132.4 106.36 7.84 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.824 1.65 . . . . 0.0 109.103 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -127.13 154.78 44.31 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.94 123.05 25.75 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.583 1.553 . . . . 0.0 109.575 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.64 -3.64 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.91 -32.63 11.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 113.126 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -124.98 -1.31 7.81 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.07 30.9 17.1 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.288 1.835 . . . . 0.0 114.359 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.07 173.66 6.23 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.596 1.558 . . . . 0.0 110.281 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.0 38.63 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.981 -0.449 . . . . 0.0 110.906 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 77.6 t80 -57.04 134.23 55.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.258 1.023 . . . . 0.0 113.52 -169.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.4 p80 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.768 1.227 . . . . 0.0 114.036 -174.648 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.16 151.2 37.31 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 124.349 1.059 . . . . 0.0 112.309 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.43 137.09 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.326 2.684 . . . . 0.0 111.558 174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 31.4 t -57.86 130.49 82.54 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.514 1.525 . . . . 0.0 111.727 170.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.92 -9.77 27.26 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 123.876 3.051 . . . . 0.0 113.509 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -94.42 -50.88 5.02 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.745 1.218 . . . . 0.0 113.829 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.61 0.75 6.83 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -167.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 62.04 10.26 3.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.94 2.096 . . . . 0.0 116.033 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.7 m -72.11 152.62 92.65 Favored Pre-proline 0 N--CA 1.474 0.736 0 O-C-N 121.105 -0.997 . . . . 0.0 111.308 169.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.44 110.77 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.386 2.724 . . . . 0.0 110.441 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.47 149.86 28.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 111.189 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.12 107.17 0.98 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.62 1.168 . . . . 0.0 108.866 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -84.59 135.23 34.28 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.97 0.908 . . . . 0.0 111.17 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -128.59 70.69 80.35 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.135 1.374 . . . . 0.0 109.644 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -28.08 80.77 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.607 2.871 . . . . 0.0 113.516 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.24 -18.21 63.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 113.974 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.65 1.99 11.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.429 1.892 . . . . 0.0 113.319 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 44.27 42.71 5.39 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 113.268 -169.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -124.5 152.29 43.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.749 1.62 . . . . 0.0 111.099 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.42 133.59 5.86 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -119.27 123.99 45.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.464 1.106 . . . . 0.0 112.384 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 27.2 t -61.08 146.44 47.31 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.6 t -86.81 -21.62 26.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.373 1.469 . . . . 0.0 113.045 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -81.53 119.62 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.964 1.306 . . . . 0.0 110.728 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.31 -26.56 64.78 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.16 -8.09 56.93 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.542 1.137 . . . . 0.0 113.932 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.0 t -112.16 -59.75 1.95 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.939 2.096 . . . . 0.0 110.976 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.01 54.98 20.57 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.878 1.704 . . . . 0.0 113.745 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 18.1 t80 -101.32 153.91 19.24 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.905 1.282 . . . . 0.0 112.542 -168.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -133.52 106.65 7.56 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.751 1.62 . . . . 0.0 109.212 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.57 155.08 45.48 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -168.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 34.9 t -76.45 124.79 28.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.818 1.647 . . . . 0.0 110.046 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -79.26 -5.8 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 48.5 mt -93.94 -38.13 11.34 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.997 0.919 . . . . 0.0 113.265 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 23.3 p -122.55 1.15 9.49 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.5 mt 55.37 33.52 21.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.845 2.058 . . . . 0.0 114.603 171.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.8 m -115.4 175.58 5.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.284 1.434 . . . . 0.0 110.268 170.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.93 133.41 32.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.214 0.606 . . . . 0.0 111.286 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -56.76 133.88 54.52 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.528 1.131 . . . . 0.0 113.458 -169.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.0 p80 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.552 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -88.9 151.2 46.94 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.635 0.774 . . . . 0.0 112.243 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.43 136.46 26.29 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.243 2.629 . . . . 0.0 111.445 170.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.69 132.55 82.55 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.048 1.739 . . . . 0.0 112.055 172.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.0 -10.64 28.84 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.854 3.036 . . . . 0.0 113.548 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -92.19 -50.68 5.54 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.536 1.135 . . . . 0.0 113.7 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.67 -2.61 7.29 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -168.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 61.21 14.38 5.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.346 1.858 . . . . 0.0 114.606 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -64.94 149.12 97.05 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 121.352 -0.842 . . . . 0.0 110.806 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.07 109.46 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.83 2.353 . . . . 0.0 110.084 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -85.76 145.35 27.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.72 108.64 1.03 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.153 . . . . 0.0 108.882 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.92 132.83 34.08 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.831 0.852 . . . . 0.0 111.411 -169.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -128.01 68.41 75.76 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.394 1.478 . . . . 0.0 109.9 -176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.69 -24.36 74.81 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.888 3.059 . . . . 0.0 114.251 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -73.37 -22.35 60.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.728 . . . . 0.0 113.646 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.9 1.46 17.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.605 1.962 . . . . 0.0 113.199 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 45.46 39.65 4.84 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.252 2.221 . . . . 0.0 113.649 -169.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -121.04 150.17 41.58 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.537 1.535 . . . . 0.0 111.29 -172.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.7 133.75 6.07 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 173.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.81 122.03 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.449 1.1 . . . . 0.0 112.291 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.8 t -61.02 140.2 57.89 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.602 0.715 . . . . 0.0 112.66 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.0 t -81.69 -21.22 38.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.694 1.198 . . . . 0.0 112.854 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.94 119.22 23.68 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.046 1.338 . . . . 0.0 110.905 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.82 -25.44 64.67 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.92 -10.2 59.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.499 1.12 . . . . 0.0 113.812 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.14 -59.55 1.98 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.664 1.985 . . . . 0.0 111.428 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.86 55.44 18.05 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.978 1.751 . . . . 0.0 114.13 170.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.409 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.5 t80 -103.22 152.38 21.55 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 112.069 -169.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -131.1 105.97 8.06 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.587 1.555 . . . . 0.0 109.163 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -126.99 154.58 44.42 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -168.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 38.9 t -77.03 122.9 25.58 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.979 1.712 . . . . 0.0 109.499 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.23 -3.33 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.34 -32.22 11.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.882 1.273 . . . . 0.0 113.101 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.6 -1.82 7.96 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 92.8 mt 56.2 31.45 18.4 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.235 1.814 . . . . 0.0 114.064 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 81.7 m -108.66 173.29 6.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.683 1.593 . . . . 0.0 110.311 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.37 134.98 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.845 -0.534 . . . . 0.0 111.027 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.35 134.49 56.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 113.632 -169.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.9 p80 . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 124.955 1.302 . . . . 0.0 113.879 -175.474 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -101.74 151.56 37.94 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 124.117 0.967 . . . . 0.0 112.39 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.07 136.96 28.13 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.292 2.661 . . . . 0.0 111.245 171.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.3 131.65 81.02 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 0.0 111.715 170.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.29 -9.31 21.57 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.574 3.516 . . . . 0.0 113.795 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -104.78 -46.32 4.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 0.0 113.994 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -124.99 -1.36 7.8 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.15 13.51 4.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.355 1.862 . . . . 0.0 114.742 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 46.5 m -65.14 149.03 97.46 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 111.004 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.28 110.6 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.138 2.559 . . . . 0.0 109.918 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -84.54 146.36 27.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.756 1.223 . . . . 0.0 111.447 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -62.28 107.83 0.98 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.735 1.214 . . . . 0.0 108.695 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -86.51 132.81 33.82 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 -171.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -125.77 69.59 64.44 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.931 1.292 . . . . 0.0 110.008 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.18 -25.63 77.18 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 124.056 3.171 . . . . 0.0 114.369 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.6 -23.67 59.96 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.061 1.744 . . . . 0.0 113.705 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.24 -8.63 15.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.119 1.768 . . . . 0.0 113.586 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 53.79 40.99 32.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.485 1.914 . . . . 0.0 113.045 -169.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -120.34 148.89 43.16 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.842 1.657 . . . . 0.0 110.777 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.93 130.69 4.79 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 44.8 mt -118.64 120.52 37.7 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.224 1.01 . . . . 0.0 112.074 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.5 t -59.44 134.96 57.49 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 112.169 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.2 t -78.92 -20.8 48.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 112.819 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -77.28 117.62 18.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.04 1.336 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.91 -23.75 64.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.95 -10.17 59.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.432 1.093 . . . . 0.0 113.804 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.8 -63.47 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.817 2.047 . . . . 0.0 111.083 -175.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.87 46.53 68.08 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.31 1.433 . . . . 0.0 114.093 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.8 t80 -93.65 149.71 21.01 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.883 1.273 . . . . 0.0 111.812 -169.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -123.91 106.25 10.28 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.69 1.596 . . . . 0.0 109.872 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -127.42 154.95 44.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.91 122.88 25.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.39 1.476 . . . . 0.0 109.66 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.35 -10.22 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -175.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -93.66 -32.27 14.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.663 1.185 . . . . 0.0 112.985 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.65 2.0 4.48 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.78 30.43 18.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 115.159 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.8 m -106.52 174.52 5.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.417 1.487 . . . . 0.0 110.495 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.64 135.45 34.7 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.88 -0.513 . . . . 0.0 110.958 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.92 130.48 47.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.193 0.997 . . . . 0.0 112.714 -169.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.5 p80 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -170.032 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -102.5 151.76 38.26 Favored Pre-proline 0 N--CA 1.474 0.733 0 C-N-CA 124.573 1.149 . . . . 0.0 112.135 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.7 136.03 27.2 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.191 2.594 . . . . 0.0 111.313 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.6 t -57.62 131.54 82.12 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.619 1.568 . . . . 0.0 111.428 170.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.8 -8.45 19.67 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.437 3.424 . . . . 0.0 113.933 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -105.43 -45.56 4.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.918 1.287 . . . . 0.0 114.147 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.6 p -123.97 -2.8 8.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 60.95 14.06 5.01 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.224 1.81 . . . . 0.0 114.662 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 m -65.29 150.13 96.09 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.874 0.87 . . . . 0.0 110.877 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.3 107.99 0.91 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.929 2.419 . . . . 0.0 109.992 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.16 30.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.781 1.232 . . . . 0.0 110.905 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.54 110.42 1.69 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.245 1.018 . . . . 0.0 108.803 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.076 0.95 . . . . 0.0 111.158 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.14 70.87 78.98 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.154 1.382 . . . . 0.0 109.843 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.8 -27.76 80.92 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.546 2.83 . . . . 0.0 113.621 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -70.69 -18.26 62.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.937 1.695 . . . . 0.0 114.012 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.38 1.27 11.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.41 1.884 . . . . 0.0 113.437 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 44.95 42.39 6.21 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.949 2.099 . . . . 0.0 113.309 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.6 ttt180 -124.22 150.93 44.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.573 1.549 . . . . 0.0 111.043 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.87 131.84 5.12 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 38.5 mt -119.06 122.17 41.52 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 112.168 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.7 t -60.53 137.83 58.11 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.466 0.651 . . . . 0.0 112.411 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 18.0 t -79.77 -21.65 44.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.498 1.119 . . . . 0.0 112.895 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -77.88 118.61 20.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.91 1.284 . . . . 0.0 110.712 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.85 -26.58 66.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.6 -15.35 60.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 0.0 113.782 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 48.5 t -105.65 -62.09 1.41 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.607 1.963 . . . . 0.0 111.047 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.78 48.81 60.58 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.431 1.491 . . . . 0.0 114.226 169.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 26.3 t80 -97.54 153.49 18.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.713 1.205 . . . . 0.0 112.105 -169.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -130.65 106.33 8.41 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.8 1.64 . . . . 0.0 109.93 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.17 155.43 44.48 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.16 125.03 28.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.158 1.783 . . . . 0.0 110.103 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.0 m -78.91 -6.44 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.3 -37.3 12.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.108 0.963 . . . . 0.0 113.444 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -121.82 -2.02 9.35 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.0 mt 56.23 30.33 16.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.116 1.766 . . . . 0.0 114.237 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.3 m -106.72 172.88 6.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.36 1.464 . . . . 0.0 110.3 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.23 134.83 39.09 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 82.0 t80 -57.0 130.99 48.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.981 0.912 . . . . 0.0 113.024 -169.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.9 p80 . . . . . 0 CA--C 1.544 0.732 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.105 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -93.15 150.27 38.88 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 123.601 0.761 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -72.18 138.78 31.23 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.088 2.525 . . . . 0.0 111.422 171.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.23 131.97 84.33 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.574 1.55 . . . . 0.0 111.807 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.79 -9.89 24.62 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.511 3.474 . . . . 0.0 113.879 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -104.6 -45.21 4.68 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.865 1.266 . . . . 0.0 114.005 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.69 -1.85 7.32 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.94 13.92 4.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.129 1.772 . . . . 0.0 114.61 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 148.87 97.59 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 123.939 0.896 . . . . 0.0 110.775 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.29 110.54 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.864 2.376 . . . . 0.0 109.814 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.09 146.26 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.545 1.138 . . . . 0.0 111.214 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.32 106.88 0.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.637 1.175 . . . . 0.0 108.582 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -85.6 133.46 34.05 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.97 0.908 . . . . 0.0 110.954 -172.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -126.51 68.89 68.8 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.82 1.248 . . . . 0.0 110.014 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.34 -25.85 76.66 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.767 2.978 . . . . 0.0 113.924 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -71.08 -20.03 62.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.751 1.62 . . . . 0.0 113.817 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.01 -7.03 12.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.271 1.828 . . . . 0.0 113.585 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 56.4 mttp 51.83 44.34 29.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.529 1.932 . . . . 0.0 112.866 -169.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -121.91 150.63 41.72 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.49 130.76 4.9 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -118.32 120.76 38.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.341 1.056 . . . . 0.0 112.162 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.5 t -59.1 136.84 58.08 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.142 0.577 . . . . 0.0 112.231 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -84.57 -10.49 57.35 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.073 0.949 . . . . 0.0 113.22 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -85.17 119.78 25.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.876 1.271 . . . . 0.0 110.549 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.32 -25.04 64.92 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 -173.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.09 -8.68 57.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.512 1.125 . . . . 0.0 113.943 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 46.8 t -116.49 -64.1 1.36 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.584 1.953 . . . . 0.0 111.175 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.82 47.18 66.1 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.208 1.385 . . . . 0.0 114.271 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.1 t80 -94.49 151.64 19.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.042 1.337 . . . . 0.0 112.028 -169.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -126.38 106.07 9.23 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.582 1.553 . . . . 0.0 109.979 -173.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -127.78 155.78 43.5 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -169.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.26 126.03 30.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.021 1.728 . . . . 0.0 110.344 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.85 -3.48 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -174.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.7 mt -97.55 -36.92 10.15 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.134 0.974 . . . . 0.0 113.452 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -121.62 -1.5 9.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.2 mt 56.54 28.41 13.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.148 1.779 . . . . 0.0 114.395 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -104.43 174.39 5.89 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.54 1.536 . . . . 0.0 110.367 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.09 38.48 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.873 -0.517 . . . . 0.0 111.091 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -58.67 132.16 53.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.307 1.043 . . . . 0.0 113.281 -169.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.0 p80 . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 124.922 1.289 . . . . 0.0 114.107 -174.343 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -99.13 148.53 34.73 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 112.248 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.33 135.07 26.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.963 2.442 . . . . 0.0 111.183 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.91 132.77 79.59 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.353 1.461 . . . . 0.0 111.912 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 -11.25 31.44 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.102 3.202 . . . . 0.0 113.587 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -94.63 -47.54 6.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.623 1.169 . . . . 0.0 113.939 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -133.38 2.6 3.55 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -168.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 61.71 13.13 5.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.406 1.882 . . . . 0.0 115.445 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.9 t -60.48 143.89 89.26 Favored Pre-proline 0 CA--C 1.543 0.685 0 O-C-N 121.205 -0.934 . . . . 0.0 111.032 169.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.89 88.83 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.736 2.957 . . . . 0.0 110.487 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.18 149.11 50.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.806 1.643 . . . . 0.0 112.107 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.61 107.44 0.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.691 1.196 . . . . 0.0 109.36 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -86.09 134.08 33.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.981 0.912 . . . . 0.0 111.097 -172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.74 71.52 77.97 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 109.842 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.89 -28.41 81.14 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.61 2.874 . . . . 0.0 113.516 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.41 -17.68 63.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.932 1.693 . . . . 0.0 114.046 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.9 1.25 11.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.389 1.876 . . . . 0.0 113.451 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.3 mttp 45.02 42.33 6.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.811 2.045 . . . . 0.0 113.131 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.4 ttt180 -124.46 150.4 45.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.561 1.544 . . . . 0.0 110.98 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.02 130.63 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 37.8 mt -116.95 123.28 46.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.343 1.057 . . . . 0.0 111.691 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.9 t -58.04 140.97 51.37 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.969 0.89 . . . . 0.0 113.02 -173.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.4 m -89.87 -5.84 56.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.317 1.447 . . . . 0.0 113.23 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -91.05 119.53 31.28 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.424 1.49 . . . . 0.0 110.398 171.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.49 -29.35 68.76 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.51 59.68 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.7 t -97.07 -60.38 1.6 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.296 1.838 . . . . 0.0 111.253 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.64 53.02 34.62 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.224 1.392 . . . . 0.0 114.072 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.403 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 35.3 t80 -99.34 156.78 16.82 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 111.917 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -131.67 106.02 7.89 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.542 1.537 . . . . 0.0 109.858 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -127.02 154.75 44.24 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.74 124.64 27.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.056 1.743 . . . . 0.0 109.955 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.2 m -79.56 -4.28 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 mt -93.51 -36.77 12.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.126 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.8 1.28 7.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.22 31.23 18.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.238 1.815 . . . . 0.0 114.402 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 76.3 m -108.87 173.38 6.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.333 1.453 . . . . 0.0 110.317 171.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.14 135.01 38.52 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.939 -0.475 . . . . 0.0 110.967 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.401 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 83.1 t80 -57.27 131.31 49.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.17 0.988 . . . . 0.0 112.997 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -171.768 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -104.33 151.32 39.09 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.996 1.318 . . . . 0.0 112.139 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.23 136.25 28.75 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.232 2.622 . . . . 0.0 111.546 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.79 131.72 82.77 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.987 1.315 . . . . 0.0 111.048 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.66 -5.85 14.04 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 124.188 3.259 . . . . 0.0 113.949 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -109.23 -44.7 3.88 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.133 1.373 . . . . 0.0 114.4 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.1 p -123.28 -1.31 8.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 61.34 14.07 5.43 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.41 1.884 . . . . 0.0 114.855 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 16.0 m -65.72 148.7 98.05 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 124.766 1.226 . . . . 0.0 111.274 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.2 93.35 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 110.418 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.41 151.57 43.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.48 1.512 . . . . 0.0 111.667 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.95 107.47 1.0 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.345 1.058 . . . . 0.0 109.442 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -82.48 135.63 35.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.899 0.879 . . . . 0.0 111.067 -175.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.35 70.86 79.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.25 1.42 . . . . 0.0 109.642 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.94 -29.29 81.92 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.54 2.827 . . . . 0.0 113.398 -174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -69.17 -16.97 63.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.972 1.709 . . . . 0.0 114.057 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.0 1.77 11.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.487 1.915 . . . . 0.0 113.392 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 45.44 41.15 6.31 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.516 1.926 . . . . 0.0 112.908 -169.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -126.08 151.37 47.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.516 1.526 . . . . 0.0 110.998 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.11 131.28 5.35 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.62 125.13 51.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.108 0.963 . . . . 0.0 111.506 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.6 140.95 55.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.087 0.946 . . . . 0.0 112.799 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.5 m -88.25 -8.08 55.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.494 1.517 . . . . 0.0 113.195 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -91.34 119.24 31.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.729 1.611 . . . . 0.0 110.279 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.59 -28.82 68.09 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.1 -18.11 59.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.68 -61.33 1.39 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.439 1.896 . . . . 0.0 111.175 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.51 49.82 55.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.202 1.382 . . . . 0.0 114.323 170.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -96.89 154.31 17.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.072 1.349 . . . . 0.0 112.046 -169.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -129.25 105.19 7.98 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.48 1.512 . . . . 0.0 109.66 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.41 154.53 43.48 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.8 t -77.31 126.19 30.53 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.076 1.751 . . . . 0.0 110.01 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -80.77 -4.15 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.21 -34.7 12.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.443 1.097 . . . . 0.0 112.997 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.98 -1.81 7.15 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.4 mt 56.47 30.43 17.09 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.138 1.775 . . . . 0.0 114.366 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.6 m -105.88 173.41 6.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.13 1.372 . . . . 0.0 110.395 170.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.24 135.01 39.06 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.931 0.493 . . . . 0.0 110.888 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.01 129.43 41.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.986 0.914 . . . . 0.0 112.663 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.0 p80 . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -171.11 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 149.23 43.79 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 125.208 1.403 . . . . 0.0 111.25 170.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.59 145.93 48.11 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.82 2.347 . . . . 0.0 112.198 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 4.6 t -60.7 130.93 90.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.62 0.768 . . . . 0.0 111.271 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.01 -11.93 32.2 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.866 3.711 . . . . 0.0 113.939 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -103.1 -43.78 5.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.837 1.255 . . . . 0.0 113.795 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 13.2 p -132.85 0.35 3.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 61.6 23.51 13.79 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.59 1.556 . . . . 0.0 114.568 174.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 p -60.49 156.44 42.51 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 111.614 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.69 68.72 4.54 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.929 3.086 . . . . 0.0 110.687 171.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -55.65 140.22 42.06 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.902 1.681 . . . . 0.0 112.527 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.42 107.22 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.139 1.376 . . . . 0.0 109.639 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.07 134.65 34.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.043 0.937 . . . . 0.0 111.106 -174.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -128.45 70.47 79.69 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.108 1.363 . . . . 0.0 109.769 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.98 -27.54 79.72 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.414 2.743 . . . . 0.0 113.47 -175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -70.1 -17.02 63.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.837 1.655 . . . . 0.0 114.048 173.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -119.71 2.24 11.11 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.416 1.886 . . . . 0.0 113.468 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 45.23 41.27 5.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.685 1.994 . . . . 0.0 113.238 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 69.2 ttt180 -124.59 151.15 45.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.714 1.606 . . . . 0.0 111.225 -171.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.51 133.08 5.92 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 173.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.64 124.37 47.25 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.267 1.027 . . . . 0.0 111.708 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -58.34 139.28 55.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.5 m -90.58 -2.34 57.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.126 1.37 . . . . 0.0 113.585 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -95.5 117.58 30.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.593 1.557 . . . . 0.0 110.166 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -25.74 65.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.84 60.3 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 26.6 t -109.19 -62.55 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.869 2.067 . . . . 0.0 110.939 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.51 52.72 43.16 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 113.97 170.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -98.32 156.84 16.53 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.365 1.466 . . . . 0.0 112.004 -169.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -130.1 106.33 8.54 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.749 1.62 . . . . 0.0 109.832 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.09 155.08 43.87 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -78.05 126.8 31.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.179 1.792 . . . . 0.0 110.327 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.4 m -81.6 -3.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.23 -35.62 11.76 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.15 0.98 . . . . 0.0 113.155 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.5 p -124.3 -1.89 8.1 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.5 mt 56.46 28.18 13.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.914 1.686 . . . . 0.0 114.227 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.76 174.14 6.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.508 1.523 . . . . 0.0 110.358 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -54.15 137.29 40.88 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.702 -0.623 . . . . 0.0 111.11 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.2 t80 -58.35 133.61 55.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.91 0.884 . . . . 0.0 113.36 -169.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.1 p80 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 124.875 1.27 . . . . 0.0 113.91 -175.565 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -104.28 150.56 38.54 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.656 1.183 . . . . 0.0 112.588 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -70.21 137.21 33.62 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.35 2.7 . . . . 0.0 111.474 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 28.7 t -56.34 130.24 75.3 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.301 1.44 . . . . 0.0 111.244 169.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.67 -8.57 23.65 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.76 2.973 . . . . 0.0 113.384 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -97.56 -50.42 4.5 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 113.939 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.8 p -124.13 0.68 8.48 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -169.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 61.41 10.95 3.42 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.31 2.244 . . . . 0.0 116.203 172.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.8 m -74.36 151.21 87.6 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 121.06 -1.025 . . . . 0.0 111.616 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -67.62 104.05 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.55 2.833 . . . . 0.0 110.769 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.87 154.22 29.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.034 1.734 . . . . 0.0 111.618 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.01 108.49 1.23 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.405 1.082 . . . . 0.0 109.43 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -87.77 134.23 33.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.906 0.883 . . . . 0.0 111.534 -172.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -128.53 69.2 78.98 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.309 1.443 . . . . 0.0 109.85 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.1 -25.85 77.67 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 124.069 3.179 . . . . 0.0 114.366 -173.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.35 -21.89 60.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.112 1.765 . . . . 0.0 113.731 174.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -111.03 0.55 16.99 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.463 1.905 . . . . 0.0 113.227 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.75 39.61 5.41 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.97 2.108 . . . . 0.0 113.495 -169.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -121.41 150.22 41.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.542 1.537 . . . . 0.0 111.024 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.34 133.54 6.2 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.8 mt -118.89 122.75 43.02 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.262 1.025 . . . . 0.0 111.822 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 37.2 t -57.37 141.39 47.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.192 0.996 . . . . 0.0 113.115 -174.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 46.7 p -84.35 -11.25 56.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.249 1.819 . . . . 0.0 113.787 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -95.11 119.14 33.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.945 1.698 . . . . 0.0 110.8 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.15 -26.56 65.84 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.9 -9.37 58.64 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.27 -59.97 1.9 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.936 2.094 . . . . 0.0 110.552 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.39 52.37 37.38 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.618 1.58 . . . . 0.0 113.971 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.3 t80 -97.27 149.33 22.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.985 1.314 . . . . 0.0 111.578 -169.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -125.33 105.68 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.481 1.512 . . . . 0.0 109.057 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.04 154.27 43.24 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -168.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.08 123.6 27.05 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.777 1.631 . . . . 0.0 109.607 169.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.34 -5.53 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.17 -31.62 12.89 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.689 1.196 . . . . 0.0 112.909 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.57 0.27 5.55 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.34 31.9 19.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.527 1.931 . . . . 0.0 114.693 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.9 m -106.46 174.04 6.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.394 1.478 . . . . 0.0 110.303 169.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.62 137.15 37.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.795 -0.566 . . . . 0.0 110.888 172.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.34 127.14 30.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.09 0.956 . . . . 0.0 111.972 -170.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.6 p80 . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -168.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -98.98 151.6 37.45 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 124.279 1.032 . . . . 0.0 112.025 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.99 132.32 21.14 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.252 2.634 . . . . 0.0 111.082 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.39 130.92 70.1 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.572 1.549 . . . . 0.0 111.601 171.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.78 -7.88 22.18 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.681 2.921 . . . . 0.0 113.577 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -95.2 -51.52 4.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.891 1.277 . . . . 0.0 113.814 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 19.6 p -123.0 -1.62 8.8 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -168.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.43 13.54 5.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.802 2.041 . . . . 0.0 114.843 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.71 97.61 Favored Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.609 1.164 . . . . 0.0 111.316 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.96 105.26 0.79 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.06 2.507 . . . . 0.0 110.155 173.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.35 149.61 27.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.841 1.256 . . . . 0.0 111.648 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 108.53 1.28 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.777 1.231 . . . . 0.0 109.225 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.9 135.97 34.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.88 0.872 . . . . 0.0 111.262 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -127.51 70.55 76.49 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.772 1.229 . . . . 0.0 109.958 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -62.57 -25.77 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.677 2.918 . . . . 0.0 113.926 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -71.94 -18.85 61.98 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.819 1.647 . . . . 0.0 113.908 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -117.37 -7.88 11.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.169 1.788 . . . . 0.0 113.827 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 51.57 46.32 26.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.361 1.864 . . . . 0.0 112.71 -169.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -124.04 150.73 44.58 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.136 1.774 . . . . 0.0 110.724 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.76 130.54 4.76 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.0 0.809 . . . . 0.0 111.104 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 46.6 mt -119.22 124.67 47.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.421 1.088 . . . . 0.0 112.351 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.8 t -61.09 145.39 51.07 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.09 -12.48 41.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.039 1.336 . . . . 0.0 113.276 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -88.53 119.16 28.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 110.634 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.67 -29.34 68.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.56 -18.36 58.71 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 40.5 t -97.03 -58.38 2.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.407 1.883 . . . . 0.0 111.643 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.65 57.23 9.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.123 1.82 . . . . 0.0 114.174 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . 0.421 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.2 t80 -104.44 154.12 20.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.728 1.211 . . . . 0.0 112.249 -169.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -132.72 106.51 7.81 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -126.81 155.33 43.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -168.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.6 t -77.38 124.56 28.04 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.626 1.57 . . . . 0.0 110.023 169.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.47 -5.57 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.51 -38.01 9.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.054 . . . . 0.0 113.573 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.4 p -119.71 -0.54 10.73 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.6 mt 55.37 30.88 15.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.43 1.892 . . . . 0.0 114.472 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.0 m -108.78 174.76 5.73 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.528 1.531 . . . . 0.0 110.238 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.76 134.17 36.65 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.938 -0.476 . . . . 0.0 111.109 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.12 131.65 51.16 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.502 1.121 . . . . 0.0 113.094 -169.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 CA--C 1.544 0.747 0 C-N-CA 124.915 1.286 . . . . 0.0 113.999 -172.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.76 153.53 52.43 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.573 1.549 . . . . 0.0 112.286 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.58 138.45 29.49 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.385 2.723 . . . . 0.0 111.671 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.94 132.69 86.96 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.92 1.688 . . . . 0.0 112.015 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.47 -10.1 27.26 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.824 3.016 . . . . 0.0 113.653 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -92.35 -51.01 5.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.357 1.063 . . . . 0.0 113.65 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.3 p -125.27 -2.34 7.55 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -168.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 61.61 14.68 6.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.36 1.864 . . . . 0.0 114.648 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 48.8 m -64.31 148.79 95.6 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.795 0.838 . . . . 0.0 111.083 171.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.33 106.52 1.04 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 123.364 2.709 . . . . 0.0 110.127 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.62 147.05 26.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.94 1.296 . . . . 0.0 111.989 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -58.8 107.54 0.53 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.473 1.509 . . . . 0.0 109.101 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.2 132.71 33.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.106 0.562 . . . . 0.0 111.256 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -129.24 67.41 78.57 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.146 1.379 . . . . 0.0 109.991 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.29 -22.77 72.27 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.854 3.036 . . . . 0.0 114.271 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -73.18 -22.89 60.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.834 1.653 . . . . 0.0 113.664 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.91 0.76 18.78 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.534 1.934 . . . . 0.0 113.209 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm 46.07 39.58 6.03 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.114 2.166 . . . . 0.0 113.449 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.8 ttt180 -121.14 149.14 43.23 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.687 1.595 . . . . 0.0 111.217 -172.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.09 133.39 5.99 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.0 123.47 42.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.305 1.042 . . . . 0.0 112.176 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.73 141.48 57.84 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.613 0.72 . . . . 0.0 112.717 -177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 t -82.46 -21.06 35.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.695 1.198 . . . . 0.0 112.808 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -82.38 119.33 24.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 111.013 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.66 -25.69 64.94 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.12 59.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.494 1.117 . . . . 0.0 113.863 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 43.9 t -111.87 -59.47 1.98 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.754 2.022 . . . . 0.0 111.492 -175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.35 57.09 10.84 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.914 1.721 . . . . 0.0 114.037 170.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -103.92 153.45 20.77 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.797 1.239 . . . . 0.0 112.052 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -132.04 106.22 7.88 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.683 1.593 . . . . 0.0 109.412 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.73 154.58 43.98 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.36 122.66 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.698 1.599 . . . . 0.0 109.336 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 19.0 m -77.43 -7.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.3 mt -94.52 -32.31 13.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.741 1.217 . . . . 0.0 113.167 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -127.96 0.86 5.95 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.6 mt 56.18 33.06 21.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.559 1.944 . . . . 0.0 114.427 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 82.5 m -111.23 173.64 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.613 1.565 . . . . 0.0 110.267 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.45 38.55 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.811 -0.556 . . . . 0.0 111.107 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.8 t80 -57.4 133.6 55.31 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.102 0.961 . . . . 0.0 113.332 -169.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 124.724 1.21 . . . . 0.0 114.084 -173.395 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 118.613 -0.708 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.8 t0 61.64 164.0 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.549 1.94 . . . . 0.0 115.031 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.53 165.26 21.33 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.75 1.22 . . . . 0.0 113.472 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -148.29 127.9 13.28 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.304 1.441 . . . . 0.0 110.637 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.13 126.04 12.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.308 2.243 . . . . 0.0 108.428 168.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -91.34 150.08 40.77 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 123.403 0.681 . . . . 0.0 112.38 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.71 135.32 25.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.154 2.569 . . . . 0.0 111.316 172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 20.9 t -57.08 131.4 80.22 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.632 1.573 . . . . 0.0 111.623 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.05 -8.95 24.87 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.733 2.955 . . . . 0.0 113.516 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.24 -51.34 4.85 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.836 1.254 . . . . 0.0 113.757 173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.04 -2.16 8.71 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.23 13.6 4.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.622 1.969 . . . . 0.0 114.774 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.7 m -66.27 149.94 97.42 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 124.502 1.121 . . . . 0.0 111.146 172.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.5 106.53 0.88 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.812 2.341 . . . . 0.0 110.107 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.96 149.84 27.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.791 1.236 . . . . 0.0 111.212 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.28 106.76 0.94 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 108.895 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -83.78 134.23 34.74 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.776 0.83 . . . . 0.0 111.054 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.72 70.43 77.11 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 125.252 1.421 . . . . 0.0 109.652 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.19 -27.62 78.69 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.563 2.842 . . . . 0.0 113.418 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.08 -17.08 63.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.786 1.634 . . . . 0.0 114.045 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.04 2.45 10.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.454 1.901 . . . . 0.0 113.422 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.77 41.56 5.17 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.803 2.041 . . . . 0.0 113.264 -170.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -124.48 151.39 44.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.646 1.578 . . . . 0.0 111.331 -171.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.47 133.48 5.97 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.4 mt -119.54 123.67 44.54 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.486 1.115 . . . . 0.0 112.213 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.7 t -61.11 144.98 52.54 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.31 -12.19 41.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.002 1.321 . . . . 0.0 113.294 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -88.73 119.1 28.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.213 1.405 . . . . 0.0 110.607 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.67 -29.15 68.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -172.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.12 59.08 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.11 -58.43 1.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.461 1.905 . . . . 0.0 111.812 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.1 60.53 6.06 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.28 1.895 . . . . 0.0 114.227 170.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.423 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.3 t80 -107.98 153.48 23.02 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.815 1.246 . . . . 0.0 112.376 -169.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -133.1 106.53 7.68 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.795 1.638 . . . . 0.0 109.082 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -127.14 155.05 43.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -168.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.6 124.48 27.98 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.908 1.683 . . . . 0.0 110.026 169.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.46 -3.28 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.8 mt -95.82 -37.03 10.92 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.233 1.013 . . . . 0.0 113.231 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -122.14 -1.57 9.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.3 mt 56.01 31.16 17.47 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.301 1.841 . . . . 0.0 114.3 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.5 m -107.37 173.45 6.32 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.322 1.449 . . . . 0.0 110.285 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.87 40.66 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.958 -0.464 . . . . 0.0 110.947 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -56.63 131.95 50.39 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.402 1.081 . . . . 0.0 113.337 -169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -120.41 19.57 12.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.818 1.247 . . . . 0.0 114.056 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.48 -121.8 21.83 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.724 1.154 . . . . 0.0 114.345 169.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 18.7 m -80.59 -6.0 57.65 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.5 156.22 38.41 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.457 1.026 . . . . 0.0 112.281 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.11 153.84 29.82 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.903 0.881 . . . . 0.0 112.205 171.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 86.1 m -69.4 172.11 7.65 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.466 1.506 . . . . 0.0 113.015 175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -120.45 152.4 38.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 112.191 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -83.29 157.63 22.55 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 112.192 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.246 0 C-N-CA 125.523 1.535 . . . . 0.0 112.77 178.4 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -77.51 132.83 38.58 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.323 0.965 . . . . 0.0 112.228 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -152.99 163.59 39.55 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.046 1.739 . . . . 0.0 111.921 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -145.86 120.15 9.58 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 111.666 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt -148.49 127.36 12.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.601 2.36 . . . . 0.0 107.97 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -95.2 147.56 33.24 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 123.148 0.579 . . . . 0.0 112.047 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -71.31 137.38 30.91 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.996 2.464 . . . . 0.0 111.213 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.27 131.0 80.84 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.206 1.402 . . . . 0.0 111.701 172.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.9 -10.4 25.1 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.75 3.633 . . . . 0.0 113.951 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -103.55 -45.13 4.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.909 1.283 . . . . 0.0 113.803 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 11.9 p -131.34 1.73 4.17 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 61.98 11.94 4.56 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.6 1.96 . . . . 0.0 115.417 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.2 t -60.33 142.97 89.9 Favored Pre-proline 0 CA--C 1.542 0.636 0 O-C-N 121.222 -0.924 . . . . 0.0 111.018 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.73 102.5 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.15 2.567 . . . . 0.0 110.079 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.5 41.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 111.55 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.73 106.12 0.64 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.641 1.176 . . . . 0.0 108.623 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -84.4 132.7 34.56 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.896 0.878 . . . . 0.0 110.89 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.29 69.41 60.53 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.921 1.288 . . . . 0.0 109.941 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.44 -26.1 76.39 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.725 2.95 . . . . 0.0 113.877 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -71.13 -20.03 62.37 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.847 1.659 . . . . 0.0 113.901 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.94 -7.82 12.55 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.212 1.805 . . . . 0.0 113.566 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 55.8 mttp 51.8 45.35 28.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.573 1.949 . . . . 0.0 112.683 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -123.11 150.51 43.13 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.095 1.758 . . . . 0.0 110.71 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.42 129.49 4.39 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -116.9 121.59 41.88 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.28 1.032 . . . . 0.0 112.197 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 35.7 t -57.68 143.76 40.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.868 0.867 . . . . 0.0 113.209 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.6 t -90.95 -10.45 42.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.617 1.167 . . . . 0.0 113.381 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.51 118.3 24.22 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.592 1.157 . . . . 0.0 110.273 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.96 -25.71 64.68 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -172.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.39 -11.64 59.93 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.342 1.057 . . . . 0.0 113.788 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.3 t -109.06 -64.27 1.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.812 2.045 . . . . 0.0 111.047 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.98 50.04 56.54 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.097 1.332 . . . . 0.0 113.961 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.424 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.1 t80 -96.34 155.3 16.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.266 1.426 . . . . 0.0 112.248 -169.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -129.27 106.15 8.62 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.786 1.634 . . . . 0.0 110.004 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -128.37 156.26 43.39 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 31.9 t -75.99 124.36 27.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.077 1.751 . . . . 0.0 110.406 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.89 -4.14 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.9 -36.5 10.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.965 0.906 . . . . 0.0 113.12 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.44 -0.08 7.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 90.6 mt 57.84 29.22 17.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.563 1.945 . . . . 0.0 115.303 171.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.15 176.85 4.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.803 1.241 . . . . 0.0 110.258 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.8 134.94 30.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.345 0.658 . . . . 0.0 111.355 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -58.42 131.15 49.84 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.382 1.073 . . . . 0.0 113.066 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -121.48 19.73 11.23 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.937 1.295 . . . . 0.0 114.021 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.06 -120.66 11.38 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.031 1.3 . . . . 0.0 114.936 169.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 33.2 m -81.92 -8.67 59.69 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.78 152.91 31.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.199 0.909 . . . . 0.0 111.424 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -81.53 159.8 24.05 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.904 0.882 . . . . 0.0 113.019 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.0 m -72.15 159.85 33.44 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.306 1.442 . . . . 0.0 112.697 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -67.45 161.63 24.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.727 1.611 . . . . 0.0 113.363 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -129.39 155.34 45.83 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.112 1.765 . . . . 0.0 111.56 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.216 0 C-N-CA 125.477 1.513 . . . . 0.0 112.816 179.356 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.572 0.225 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -120.67 9.02 10.69 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.989 1.716 . . . . 0.0 112.549 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -140.05 174.07 10.89 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.01 1.724 . . . . 0.0 112.648 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -141.33 125.69 17.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.459 1.504 . . . . 0.0 110.484 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.1 mt -146.68 129.96 16.63 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.655 2.382 . . . . 0.0 108.523 169.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -96.13 152.08 38.63 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.146 0.978 . . . . 0.0 112.365 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.59 134.82 22.95 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.423 2.749 . . . . 0.0 111.431 172.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.1 t -58.03 132.21 83.69 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.867 1.667 . . . . 0.0 111.935 171.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.79 -10.28 28.14 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.949 3.099 . . . . 0.0 113.537 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -92.48 -50.94 5.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.506 1.122 . . . . 0.0 113.673 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.23 -2.26 7.58 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -168.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 60.89 13.95 4.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.457 1.903 . . . . 0.0 114.619 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 40.3 m -64.89 149.98 95.61 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.903 170.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.73 108.62 1.09 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.794 2.329 . . . . 0.0 110.051 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.6 146.21 28.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.765 1.226 . . . . 0.0 111.128 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.68 107.05 0.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.731 1.212 . . . . 0.0 108.766 172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -85.42 134.41 34.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.876 0.87 . . . . 0.0 111.065 -171.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -128.38 70.13 79.17 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.114 1.366 . . . . 0.0 109.781 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.01 -27.68 79.74 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.551 2.834 . . . . 0.0 113.589 -174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.29 -18.28 63.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.897 1.679 . . . . 0.0 114.049 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.48 1.81 11.77 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.575 1.95 . . . . 0.0 113.291 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 44.34 42.1 5.02 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.147 2.179 . . . . 0.0 113.244 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -123.35 151.73 42.22 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.683 1.593 . . . . 0.0 111.101 -172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.89 133.37 5.84 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.51 122.38 41.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.537 1.135 . . . . 0.0 112.138 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.1 t -60.94 139.22 58.08 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.485 0.66 . . . . 0.0 112.576 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.2 t -81.06 -20.99 40.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.583 1.153 . . . . 0.0 112.848 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -80.94 118.94 22.86 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.992 1.317 . . . . 0.0 110.968 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.65 -25.39 64.8 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.0 -10.53 59.49 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.538 1.135 . . . . 0.0 113.809 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 41.2 t -111.89 -59.28 2.01 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.691 1.996 . . . . 0.0 111.48 -175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.15 53.53 27.06 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.82 1.676 . . . . 0.0 114.268 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -101.28 153.58 19.51 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.815 1.246 . . . . 0.0 112.222 -169.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -132.35 106.46 7.91 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.606 1.562 . . . . 0.0 109.459 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -128.19 155.08 45.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -168.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.23 125.13 28.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.88 1.672 . . . . 0.0 110.113 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.9 m -79.05 -5.85 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.77 -38.54 11.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.044 0.938 . . . . 0.0 113.431 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.1 p -120.05 -0.48 10.56 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 55.54 31.61 17.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.4 1.88 . . . . 0.0 114.237 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -110.85 173.85 6.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.366 1.467 . . . . 0.0 110.224 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.79 133.85 36.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.967 0.507 . . . . 0.0 111.082 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -56.69 133.75 54.19 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.347 1.059 . . . . 0.0 113.45 -169.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -126.01 20.65 7.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 114.101 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.83 -122.71 23.93 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.525 1.06 . . . . 0.0 114.07 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.4 m -84.73 -2.62 57.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.23 161.39 30.6 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.129 -0.982 . . . . 0.0 112.137 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -79.01 146.34 33.39 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.651 1.18 . . . . 0.0 113.531 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.81 165.21 24.56 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.197 1.399 . . . . 0.0 113.879 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.78 116.09 4.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.71 1.604 . . . . 0.0 110.806 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 52.92 31.71 11.31 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.903 1.681 . . . . 0.0 113.31 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 C-N-CA 125.65 1.595 . . . . 0.0 113.919 177.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 110.768 -0.086 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -121.0 8.88 10.47 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.956 1.302 . . . . 0.0 113.448 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.22 147.6 42.33 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.57 1.148 . . . . 0.0 112.853 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -83.96 91.97 7.73 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.34 1.056 . . . . 0.0 110.049 172.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 93.8 mt -144.93 132.41 20.82 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.353 1.861 . . . . 0.0 109.998 170.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.25 153.13 39.74 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.79 1.236 . . . . 0.0 112.3 173.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -72.68 135.9 24.69 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.455 2.77 . . . . 0.0 111.452 170.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 7.3 t -58.04 133.33 83.87 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.486 1.514 . . . . 0.0 111.922 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.0 -12.07 33.4 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.058 3.172 . . . . 0.0 113.524 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -92.87 -49.67 5.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.565 1.146 . . . . 0.0 113.722 174.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.59 0.77 4.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -167.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 61.94 14.01 6.04 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.372 1.869 . . . . 0.0 115.239 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.0 t -59.53 143.52 85.99 Favored Pre-proline 0 CA--C 1.543 0.68 0 O-C-N 121.21 -0.932 . . . . 0.0 111.096 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.76 90.12 0.42 Allowed 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.802 3.002 . . . . 0.0 110.464 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -72.43 148.45 45.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.199 1.8 . . . . 0.0 112.451 -172.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -58.22 104.89 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.848 1.659 . . . . 0.0 108.999 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.84 130.11 35.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.629 0.772 . . . . 0.0 110.98 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.78 66.1 74.44 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.881 1.272 . . . . 0.0 110.656 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.79 -20.81 64.98 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 124.121 3.214 . . . . 0.0 114.435 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -71.7 -24.0 61.74 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.315 1.446 . . . . 0.0 113.311 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.54 -6.79 17.82 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.504 1.922 . . . . 0.0 113.26 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm 52.49 39.2 27.39 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.792 2.037 . . . . 0.0 112.975 -168.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -119.35 149.27 42.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.857 1.663 . . . . 0.0 110.893 -176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.28 131.71 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.41 123.96 45.38 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.293 1.037 . . . . 0.0 111.859 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.1 t -58.8 140.68 54.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.92 0.867 . . . . 0.0 112.779 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 74.2 m -87.77 -6.02 58.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.304 1.441 . . . . 0.0 113.226 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -93.97 120.48 34.28 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.749 1.62 . . . . 0.0 110.534 171.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.85 -30.33 68.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.87 59.12 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.6 t -88.45 -56.69 3.21 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.267 1.827 . . . . 0.0 111.054 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.36 54.7 22.77 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.734 1.635 . . . . 0.0 113.99 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.402 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.0 t80 -102.02 153.95 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.789 1.236 . . . . 0.0 112.109 -169.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -130.96 106.65 8.55 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.614 1.565 . . . . 0.0 109.183 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -126.11 154.43 43.13 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.7 t -78.14 123.79 27.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.329 1.452 . . . . 0.0 109.48 169.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.29 -4.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.6 mt -98.35 -32.87 11.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.89 1.276 . . . . 0.0 113.296 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.84 -0.03 7.33 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.1 mt 56.34 29.51 15.2 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.277 1.831 . . . . 0.0 114.602 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 77.8 m -104.2 174.21 5.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.724 1.61 . . . . 0.0 110.376 170.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.35 38.76 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.853 -0.529 . . . . 0.0 110.851 172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -58.88 132.22 53.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.323 1.049 . . . . 0.0 113.036 -169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -126.7 19.47 7.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.699 1.2 . . . . 0.0 114.065 -171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.01 -119.11 9.19 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.573 1.082 . . . . 0.0 113.983 173.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 68.1 p -88.36 -1.27 57.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.521 1.528 . . . . 0.0 115.113 -178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.23 167.23 20.8 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.164 -0.96 . . . . 0.0 112.35 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -77.24 144.31 38.31 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.076 -1.015 . . . . 0.0 113.36 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 77.6 m -72.13 168.01 19.07 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.705 1.602 . . . . 0.0 113.882 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -111.43 155.18 23.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.754 1.622 . . . . 0.0 112.528 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.89 156.72 37.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.741 1.216 . . . . 0.0 112.969 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.272 0 C-N-CA 125.422 1.487 . . . . 0.0 113.444 175.842 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.914 0.388 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.92 161.75 28.69 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.805 1.242 . . . . 0.0 113.558 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -129.28 165.17 21.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.966 1.706 . . . . 0.0 111.566 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -140.88 124.8 17.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.085 1.354 . . . . 0.0 111.304 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 85.1 mt -147.26 110.75 4.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.906 2.482 . . . . 0.0 108.042 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -77.21 149.0 78.82 Favored Pre-proline 0 N--CA 1.472 0.672 0 O-C-N 121.939 -0.476 . . . . 0.0 112.112 -173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -71.54 136.86 29.3 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.06 2.507 . . . . 0.0 111.153 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 9.9 t -56.4 131.26 76.3 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.784 1.634 . . . . 0.0 111.676 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.02 -9.21 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.099 3.199 . . . . 0.0 113.465 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -99.71 -46.72 5.33 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.751 1.22 . . . . 0.0 113.786 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.2 p -127.66 -1.37 6.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 61.31 13.39 4.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.281 1.832 . . . . 0.0 114.679 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -65.21 148.37 97.96 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 123.907 0.883 . . . . 0.0 110.687 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.06 113.6 2.28 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 109.795 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.76 148.92 26.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.576 1.151 . . . . 0.0 111.323 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -63.42 105.69 0.8 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.603 1.161 . . . . 0.0 108.31 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -83.84 133.1 34.76 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.8 0.84 . . . . 0.0 111.006 -172.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.75 69.05 75.8 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.143 1.377 . . . . 0.0 109.865 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.29 -26.84 77.5 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.527 2.818 . . . . 0.0 113.644 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -70.13 -19.56 63.22 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.811 1.644 . . . . 0.0 113.953 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -116.17 1.79 13.23 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.512 1.925 . . . . 0.0 113.268 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.2 mttp 44.4 42.29 5.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.23 2.212 . . . . 0.0 113.377 -169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.2 ttt180 -123.21 150.47 43.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.763 1.625 . . . . 0.0 111.007 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.55 131.18 5.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -117.47 119.55 35.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.352 1.061 . . . . 0.0 111.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.4 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 25.7 t -58.36 135.0 57.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.211 0.604 . . . . 0.0 112.2 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.1 t -82.01 -11.25 58.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.987 0.915 . . . . 0.0 113.207 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -84.93 117.93 24.23 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.982 1.313 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.68 -23.74 64.43 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.4 -9.71 58.81 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.492 1.117 . . . . 0.0 113.874 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.0 t -115.52 -63.93 1.39 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.744 2.018 . . . . 0.0 111.148 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.07 47.77 65.62 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.12 1.343 . . . . 0.0 114.289 171.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 40.4 t80 -94.87 150.53 20.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.938 1.295 . . . . 0.0 111.729 -170.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -125.82 106.1 9.43 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.62 1.568 . . . . 0.0 109.915 -172.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -127.83 155.54 43.94 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -168.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.3 t -77.21 124.82 28.37 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.174 1.789 . . . . 0.0 110.248 170.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.72 -3.34 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 46.9 mt -95.28 -37.6 10.92 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.049 0.94 . . . . 0.0 113.313 175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.6 -4.77 9.78 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.3 mt 58.69 30.48 20.0 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.022 1.729 . . . . 0.0 114.499 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 95.5 m -106.73 174.28 5.96 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.126 1.37 . . . . 0.0 110.222 169.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.06 135.9 36.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.983 0.513 . . . . 0.0 111.119 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 81.1 t80 -57.28 133.13 54.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.201 1.001 . . . . 0.0 113.334 -169.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -124.48 21.73 8.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.907 1.283 . . . . 0.0 113.88 -175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.76 -123.37 31.85 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.336 0.97 . . . . 0.0 114.127 169.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.5 t -87.34 -0.71 57.17 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -177.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.86 157.46 37.41 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.864 -1.147 . . . . 0.0 112.527 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.95 149.35 50.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.385 1.474 . . . . 0.0 113.079 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.7 144.5 45.76 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.629 1.171 . . . . 0.0 111.536 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -138.03 164.8 28.17 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.116 1.366 . . . . 0.0 112.927 -168.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -65.68 154.12 39.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.46 1.504 . . . . 0.0 112.458 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 C-N-CA 125.774 1.654 . . . . 0.0 112.916 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.82 141.36 30.33 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.997 1.319 . . . . 0.0 111.259 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -141.95 159.61 41.88 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.585 1.554 . . . . 0.0 111.511 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -81.08 8.94 7.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.09 102.35 0.36 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.165 2.986 . . . . 0.0 110.419 174.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 582' ' ' TYR . 32.1 mttm -79.63 148.47 69.53 Favored Pre-proline 0 N--CA 1.471 0.616 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.235 -171.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.893 2.395 . . . . 0.0 110.919 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 12.4 t -52.79 130.89 47.57 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.863 1.665 . . . . 0.0 111.756 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -69.55 -6.81 19.39 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.781 2.987 . . . . 0.0 113.492 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -96.19 -51.53 4.37 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.859 1.263 . . . . 0.0 113.871 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.8 p -123.43 -1.47 8.59 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -168.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 61.64 13.79 5.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.869 2.067 . . . . 0.0 114.832 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.47 149.23 98.23 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.585 1.154 . . . . 0.0 111.434 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 104.7 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.056 2.504 . . . . 0.0 110.263 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.91 150.55 32.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.571 1.148 . . . . 0.0 111.78 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.54 110.0 1.84 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.489 1.116 . . . . 0.0 108.928 172.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . 0.413 ' CE1' ' HE2' ' A' ' 571' ' ' LYS . 10.6 t80 -85.74 134.57 33.95 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.816 0.846 . . . . 0.0 111.412 -172.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.69 70.58 77.14 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.264 1.426 . . . . 0.0 109.756 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -62.05 -27.95 79.78 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.583 2.855 . . . . 0.0 113.473 -175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -69.68 -16.32 63.33 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.748 1.619 . . . . 0.0 114.059 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -120.86 2.08 10.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.49 1.916 . . . . 0.0 113.498 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.2 mttt 45.01 41.41 5.36 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.602 1.961 . . . . 0.0 113.139 -169.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -124.94 150.6 46.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.633 1.573 . . . . 0.0 111.167 -171.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.18 131.96 5.3 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.38 124.27 47.31 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.542 1.137 . . . . 0.0 111.991 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.422 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.6 t -60.83 143.93 53.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -175.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.1 t -83.27 -21.37 33.33 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.003 1.321 . . . . 0.0 112.892 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -82.2 118.44 23.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.093 1.357 . . . . 0.0 110.728 -177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.23 -28.56 67.34 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.626 0.972 . . . . 0.0 113.626 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.89 -18.43 59.41 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.8 t -97.21 -58.34 2.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.453 1.901 . . . . 0.0 111.52 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.14 55.88 14.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.13 1.824 . . . . 0.0 113.992 170.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.422 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.9 t80 -103.54 154.32 19.6 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.808 1.243 . . . . 0.0 112.419 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -133.19 105.79 7.21 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.709 1.604 . . . . 0.0 109.238 -173.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -127.37 155.45 43.58 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -168.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -76.46 123.23 25.7 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.672 1.589 . . . . 0.0 110.011 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.1 m -77.44 -7.59 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 47.8 mt -91.81 -38.21 12.49 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.91 0.884 . . . . 0.0 113.209 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.48 0.37 8.24 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.1 mt 57.79 33.41 23.19 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.579 1.951 . . . . 0.0 115.038 170.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.71 174.57 5.86 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.038 1.335 . . . . 0.0 110.277 169.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.19 134.44 33.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.109 0.564 . . . . 0.0 111.136 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.45 130.22 43.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.282 1.033 . . . . 0.0 112.916 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -122.17 17.48 10.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -170.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.02 -117.07 5.65 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.86 1.219 . . . . 0.0 114.186 170.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.6 m -84.16 -5.28 59.22 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.05 162.07 29.39 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.415 1.007 . . . . 0.0 112.022 175.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -81.78 157.3 24.54 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.343 -0.848 . . . . 0.0 113.008 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 96.3 m -81.45 171.93 14.14 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.119 1.768 . . . . 0.0 113.539 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -61.49 130.28 45.22 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.987 1.315 . . . . 0.0 111.351 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -155.21 161.79 41.09 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.779 1.631 . . . . 0.0 112.555 -174.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.306 0 C-N-CA 125.39 1.471 . . . . 0.0 113.614 -178.473 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.601 0.239 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -144.01 161.8 37.84 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.968 1.307 . . . . 0.0 111.477 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -80.23 11.23 3.66 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.518 1.527 . . . . 0.0 115.092 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -146.76 125.33 12.47 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.886 2.075 . . . . 0.0 110.398 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt -147.29 124.79 11.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.116 2.166 . . . . 0.0 108.593 169.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -88.67 149.4 43.96 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 123.407 0.683 . . . . 0.0 112.236 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -70.69 136.35 30.33 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.193 2.595 . . . . 0.0 111.237 172.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 33.0 t -57.03 130.66 79.73 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.501 1.52 . . . . 0.0 111.888 172.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.05 -10.5 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.908 3.072 . . . . 0.0 113.483 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.88 -50.42 5.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.608 1.163 . . . . 0.0 113.857 172.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.84 0.87 6.02 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -167.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 61.35 10.58 3.17 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.084 2.153 . . . . 0.0 116.13 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 2.9 m -73.45 152.03 89.74 Favored Pre-proline 0 N--CA 1.474 0.726 0 O-C-N 121.091 -1.006 . . . . 0.0 110.686 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.11 111.35 1.74 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.2 2.6 . . . . 0.0 110.414 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -80.24 149.24 30.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.253 1.421 . . . . 0.0 111.033 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -63.48 110.28 1.91 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.073 0.949 . . . . 0.0 108.793 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -86.75 135.13 33.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.862 0.865 . . . . 0.0 111.156 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -128.47 69.93 79.32 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.229 1.411 . . . . 0.0 109.737 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.38 -26.9 77.06 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.466 2.777 . . . . 0.0 113.481 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -70.0 -17.24 63.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.734 1.614 . . . . 0.0 114.045 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.91 2.5 11.03 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.539 1.936 . . . . 0.0 113.392 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 44.95 41.37 5.24 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.901 2.081 . . . . 0.0 113.317 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -124.08 151.75 43.5 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.793 1.637 . . . . 0.0 111.357 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.67 133.47 5.76 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -119.88 123.13 42.85 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.631 1.172 . . . . 0.0 112.468 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.2 t -60.33 143.08 53.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 19.2 t -81.2 -23.74 37.94 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.827 1.251 . . . . 0.0 112.829 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -80.12 120.05 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.571 1.149 . . . . 0.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.66 -30.4 69.93 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.09 -18.04 60.34 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.03 -58.5 2.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.415 1.886 . . . . 0.0 111.086 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.85 52.5 30.02 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.884 1.707 . . . . 0.0 113.956 170.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -99.35 153.63 18.82 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.688 1.195 . . . . 0.0 112.303 -169.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -133.34 106.86 7.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.717 1.607 . . . . 0.0 109.485 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -128.69 154.82 45.92 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -168.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.0 t -76.39 124.83 28.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.863 1.665 . . . . 0.0 109.994 169.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.0 m -79.6 -2.48 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.2 mt -96.67 -38.35 9.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.218 1.007 . . . . 0.0 113.29 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.64 -0.52 10.78 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.8 mt 55.22 32.36 18.37 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.371 1.869 . . . . 0.0 114.147 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.1 m -112.68 173.83 6.19 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.266 1.427 . . . . 0.0 110.106 172.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.68 133.68 36.42 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.06 0.544 . . . . 0.0 111.183 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -56.18 133.37 52.26 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.367 1.067 . . . . 0.0 113.514 -169.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -124.37 20.76 8.78 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.802 1.241 . . . . 0.0 114.063 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 55.76 -121.11 21.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.372 0.987 . . . . 0.0 113.995 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 56.2 m -88.02 -0.3 56.85 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -74.8 169.5 17.77 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.108 -0.995 . . . . 0.0 113.007 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -82.27 146.09 29.65 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.305 1.042 . . . . 0.0 112.471 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.73 165.94 18.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.824 1.25 . . . . 0.0 113.358 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.81 145.21 35.81 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.752 1.621 . . . . 0.0 112.47 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -120.05 159.98 23.71 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.527 1.931 . . . . 0.0 111.616 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 C-N-CA 125.37 1.462 . . . . 0.0 112.746 178.566 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.759 0.314 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.7 145.62 31.81 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.196 1.399 . . . . 0.0 111.189 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.7 151.9 47.55 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.025 1.33 . . . . 0.0 112.053 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -99.95 102.51 13.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.31 1.444 . . . . 0.0 109.319 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.1 mt -146.65 125.85 13.0 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.875 2.07 . . . . 0.0 109.308 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.43 150.89 39.7 Favored Pre-proline 0 N--CA 1.475 0.788 0 C-N-CA 124.18 0.992 . . . . 0.0 112.068 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.93 136.61 27.81 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.09 2.527 . . . . 0.0 111.617 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.0 t -56.96 130.69 79.42 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.702 1.601 . . . . 0.0 111.724 171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.87 -10.92 29.62 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.986 3.124 . . . . 0.0 113.528 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -93.34 -49.15 6.08 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.59 1.156 . . . . 0.0 113.638 173.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 8.1 p -129.99 0.77 4.77 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -167.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 62.78 13.71 6.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.705 2.002 . . . . 0.0 115.435 176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 53.6 m -61.52 148.32 86.51 Favored Pre-proline 0 N--CA 1.474 0.765 0 O-C-N 121.282 -0.886 . . . . 0.0 111.329 169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -65.78 103.14 0.56 Allowed 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.748 2.299 . . . . 0.0 109.812 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -79.24 145.4 33.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.473 1.109 . . . . 0.0 111.165 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -62.66 109.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.145 0.978 . . . . 0.0 109.081 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.22 135.42 33.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.976 0.91 . . . . 0.0 111.402 -171.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -129.01 70.23 81.45 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 125.218 1.407 . . . . 0.0 109.479 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.15 -28.07 79.35 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.508 2.805 . . . . 0.0 113.561 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -69.74 -18.53 63.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.941 1.696 . . . . 0.0 113.921 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -117.84 2.07 12.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.524 1.93 . . . . 0.0 113.247 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 43.93 42.68 4.8 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.081 2.152 . . . . 0.0 113.482 -169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -123.65 150.35 44.32 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.654 1.582 . . . . 0.0 111.309 -172.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.31 133.07 5.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.11 0.862 . . . . 0.0 110.998 173.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.92 123.1 43.82 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.537 1.135 . . . . 0.0 112.307 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 31.4 t -60.44 145.34 48.55 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -89.26 -13.33 38.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.022 1.329 . . . . 0.0 113.353 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -87.77 119.47 28.13 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.92 1.288 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.0 -26.42 65.01 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -172.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.37 -10.54 59.51 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.417 1.087 . . . . 0.0 113.879 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 36.8 t -108.74 -59.74 1.84 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.806 2.042 . . . . 0.0 111.316 -175.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.9 56.05 15.67 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.879 1.704 . . . . 0.0 114.272 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.419 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.1 t80 -102.87 153.64 20.0 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.83 1.252 . . . . 0.0 112.36 -169.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -132.27 105.65 7.45 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.71 1.604 . . . . 0.0 109.239 -173.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.11 155.46 43.29 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -168.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.23 124.27 27.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.265 1.826 . . . . 0.0 110.221 169.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.3 m -79.71 -1.74 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -174.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 50.2 mt -97.05 -37.36 10.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.282 1.033 . . . . 0.0 113.422 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.99 -2.09 9.77 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.8 mt 56.36 30.73 17.4 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.177 1.791 . . . . 0.0 114.153 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -107.87 173.75 6.18 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.462 1.505 . . . . 0.0 110.361 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.22 135.18 38.68 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.835 -0.54 . . . . 0.0 111.189 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -56.79 134.54 55.16 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.413 1.085 . . . . 0.0 113.92 -169.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -127.38 23.37 6.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.136 1.375 . . . . 0.0 113.775 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 57.9 -127.76 45.85 Favored Glycine 0 CA--C 1.534 1.228 0 O-C-N 121.251 -0.906 . . . . 0.0 114.16 170.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.4 p -86.19 -1.28 57.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.314 1.446 . . . . 0.0 114.591 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -70.87 154.8 41.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.09 -1.006 . . . . 0.0 111.777 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -78.53 143.89 36.14 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.307 -0.871 . . . . 0.0 112.606 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 67.2 m -67.18 148.67 51.49 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.573 1.149 . . . . 0.0 111.936 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -157.31 156.91 33.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.937 1.695 . . . . 0.0 112.167 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -109.41 11.96 24.84 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.943 1.697 . . . . 0.0 114.565 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 C-N-CA 126.622 2.058 . . . . 0.0 112.611 179.314 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -85.48 -1.38 57.01 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -174.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -138.12 164.83 28.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.149 2.18 . . . . 0.0 111.088 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -124.45 113.0 17.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.183 1.393 . . . . 0.0 109.978 174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.0 mt -146.08 123.2 11.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.836 2.054 . . . . 0.0 108.887 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -84.49 150.36 56.78 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 123.007 0.523 . . . . 0.0 112.241 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.06 132.04 20.52 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.187 2.592 . . . . 0.0 110.951 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 15.5 t -55.16 131.61 68.79 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.954 1.702 . . . . 0.0 111.754 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -69.24 -9.13 25.48 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.842 3.028 . . . . 0.0 113.369 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -94.71 -51.33 4.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 113.824 173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.9 p -123.78 -1.57 8.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 -168.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 61.38 13.39 4.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.777 2.031 . . . . 0.0 114.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.5 97.8 Favored Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 124.521 1.129 . . . . 0.0 111.223 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.94 106.89 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.857 2.371 . . . . 0.0 110.312 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.47 147.54 27.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.942 1.297 . . . . 0.0 111.414 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.52 107.47 0.8 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.837 1.255 . . . . 0.0 109.135 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.12 133.67 33.86 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.825 0.85 . . . . 0.0 111.493 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -128.29 69.62 78.41 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.259 1.424 . . . . 0.0 109.812 -176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.09 -25.53 77.44 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.0 3.134 . . . . 0.0 114.28 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.76 -22.54 59.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.175 1.79 . . . . 0.0 113.783 174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -110.98 0.82 17.14 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.459 1.904 . . . . 0.0 113.296 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.78 40.09 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.146 2.179 . . . . 0.0 113.567 -170.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.4 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 64.6 ttt180 -121.55 150.2 42.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.562 1.545 . . . . 0.0 111.143 -172.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.2 132.44 5.34 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 48.3 mt -118.82 123.19 44.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 112.3 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.42 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 20.9 t -61.35 144.08 54.61 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.8 t -84.67 -21.04 30.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.06 1.344 . . . . 0.0 112.891 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.7 ttm-85 -81.94 118.48 22.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.1 1.36 . . . . 0.0 110.814 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.8 -29.14 68.24 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.33 -18.58 58.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 39.4 t -96.41 -58.35 2.09 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.402 1.881 . . . . 0.0 111.525 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.16 59.84 6.64 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.206 1.86 . . . . 0.0 113.995 170.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.42 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 19.4 t80 -107.53 152.97 23.53 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.873 1.269 . . . . 0.0 112.197 -169.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -132.4 106.36 7.84 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.824 1.65 . . . . 0.0 109.103 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -127.13 154.78 44.31 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -168.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 36.7 t -76.94 123.05 25.75 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.583 1.553 . . . . 0.0 109.575 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.64 -3.64 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.91 -32.63 11.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.895 1.278 . . . . 0.0 113.126 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.9 p -124.98 -1.31 7.81 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.07 30.9 17.1 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.288 1.835 . . . . 0.0 114.359 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.07 173.66 6.23 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.596 1.558 . . . . 0.0 110.281 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.0 38.63 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.981 -0.449 . . . . 0.0 110.906 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.4 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 77.6 t80 -57.04 134.23 55.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.258 1.023 . . . . 0.0 113.52 -169.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -125.3 20.86 8.05 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.768 1.227 . . . . 0.0 114.036 -174.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.69 -125.93 36.28 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.361 0.981 . . . . 0.0 114.16 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 18.9 m -83.26 -2.7 56.26 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.12 161.18 30.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.338 0.972 . . . . 0.0 112.035 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.34 150.58 40.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.618 1.167 . . . . 0.0 113.002 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.9 m -65.93 160.79 22.7 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 122.804 1.287 . . . . 0.0 113.697 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.42 27.32 0.27 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.733 2.013 . . . . 0.0 115.55 -167.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 50.19 44.79 26.15 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 127.132 2.173 . . . . 0.0 113.917 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 125.498 1.523 . . . . 0.0 113.732 178.411 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -144.48 3.81 1.16 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.14 1.376 . . . . 0.0 113.663 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.59 175.52 5.46 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.188 2.195 . . . . 0.0 112.917 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -136.54 124.92 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.794 1.638 . . . . 0.0 109.79 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt -147.22 131.0 16.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.554 2.342 . . . . 0.0 108.375 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -99.16 151.2 37.31 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 124.349 1.059 . . . . 0.0 112.309 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.43 137.09 30.05 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.326 2.684 . . . . 0.0 111.558 174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 31.4 t -57.86 130.49 82.54 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.514 1.525 . . . . 0.0 111.727 170.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.92 -9.77 27.26 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 123.876 3.051 . . . . 0.0 113.509 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -94.42 -50.88 5.02 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.745 1.218 . . . . 0.0 113.829 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.61 0.75 6.83 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -167.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 62.04 10.26 3.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.94 2.096 . . . . 0.0 116.033 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.7 m -72.11 152.62 92.65 Favored Pre-proline 0 N--CA 1.474 0.736 0 O-C-N 121.105 -0.997 . . . . 0.0 111.308 169.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.44 110.77 1.47 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.386 2.724 . . . . 0.0 110.441 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -81.47 149.86 28.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 111.189 176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.12 107.17 0.98 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.62 1.168 . . . . 0.0 108.866 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -84.59 135.23 34.28 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 123.97 0.908 . . . . 0.0 111.17 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -128.59 70.69 80.35 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.135 1.374 . . . . 0.0 109.644 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -28.08 80.77 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.607 2.871 . . . . 0.0 113.516 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.24 -18.21 63.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 113.974 173.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.65 1.99 11.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.429 1.892 . . . . 0.0 113.319 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 44.27 42.71 5.39 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 127.026 2.13 . . . . 0.0 113.268 -169.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -124.5 152.29 43.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.749 1.62 . . . . 0.0 111.099 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.42 133.59 5.86 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.9 mt -119.27 123.99 45.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.464 1.106 . . . . 0.0 112.384 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.429 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 27.2 t -61.08 146.44 47.31 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -175.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 12.6 t -86.81 -21.62 26.35 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.373 1.469 . . . . 0.0 113.045 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -81.53 119.62 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.964 1.306 . . . . 0.0 110.728 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.31 -26.56 64.78 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -77.16 -8.09 56.93 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.542 1.137 . . . . 0.0 113.932 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.0 t -112.16 -59.75 1.95 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.939 2.096 . . . . 0.0 110.976 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 51.01 54.98 20.57 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.878 1.704 . . . . 0.0 113.745 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 18.1 t80 -101.32 153.91 19.24 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.905 1.282 . . . . 0.0 112.542 -168.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -133.52 106.65 7.56 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.751 1.62 . . . . 0.0 109.212 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -128.57 155.08 45.48 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -168.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 34.9 t -76.45 124.79 28.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.818 1.647 . . . . 0.0 110.046 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.6 m -79.26 -5.8 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 48.5 mt -93.94 -38.13 11.34 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.997 0.919 . . . . 0.0 113.265 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 23.3 p -122.55 1.15 9.49 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.5 mt 55.37 33.52 21.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.845 2.058 . . . . 0.0 114.603 171.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 93.8 m -115.4 175.58 5.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.284 1.434 . . . . 0.0 110.268 170.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -51.93 133.41 32.42 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.214 0.606 . . . . 0.0 111.286 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -56.76 133.88 54.52 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.528 1.131 . . . . 0.0 113.458 -169.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -123.57 19.68 9.55 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.49 -123.83 29.43 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.594 1.092 . . . . 0.0 114.234 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.4 m -83.57 -4.62 58.71 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.34 159.06 31.87 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.172 -0.955 . . . . 0.0 111.857 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -75.83 158.46 32.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.359 -0.838 . . . . 0.0 112.721 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.1 163.87 27.15 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.465 1.506 . . . . 0.0 113.545 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -59.97 147.99 36.9 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.994 1.718 . . . . 0.0 113.766 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 38.4 ttp-105 -97.41 145.88 25.74 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.1 1.76 . . . . 0.0 111.46 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.384 0 C-N-CA 125.385 1.469 . . . . 0.0 113.713 177.629 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.45 24.27 4.43 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.025 1.33 . . . . 0.0 112.332 -169.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -142.07 172.3 12.87 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.382 1.873 . . . . 0.0 112.409 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -145.79 135.22 23.09 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.046 1.738 . . . . 0.0 109.633 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.5 mt -147.11 128.9 15.28 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.469 2.308 . . . . 0.0 108.978 169.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -88.9 151.2 46.94 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 123.635 0.774 . . . . 0.0 112.243 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.43 136.46 26.29 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.243 2.629 . . . . 0.0 111.445 170.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 13.3 t -57.69 132.55 82.55 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.048 1.739 . . . . 0.0 112.055 172.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.0 -10.64 28.84 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.854 3.036 . . . . 0.0 113.548 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -92.19 -50.68 5.54 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.536 1.135 . . . . 0.0 113.7 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.2 p -125.67 -2.61 7.29 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -168.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 61.21 14.38 5.52 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.346 1.858 . . . . 0.0 114.606 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 39.5 m -64.94 149.12 97.05 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 121.352 -0.842 . . . . 0.0 110.806 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -65.07 109.46 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.83 2.353 . . . . 0.0 110.084 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -85.76 145.35 27.29 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.865 1.266 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.72 108.64 1.03 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.153 . . . . 0.0 108.882 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -87.92 132.83 34.08 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.831 0.852 . . . . 0.0 111.411 -169.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -128.01 68.41 75.76 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.394 1.478 . . . . 0.0 109.9 -176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.69 -24.36 74.81 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.888 3.059 . . . . 0.0 114.251 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -73.37 -22.35 60.29 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.728 . . . . 0.0 113.646 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -110.9 1.46 17.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.605 1.962 . . . . 0.0 113.199 175.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm 45.46 39.65 4.84 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.252 2.221 . . . . 0.0 113.649 -169.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -121.04 150.17 41.58 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.537 1.535 . . . . 0.0 111.29 -172.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.7 133.75 6.07 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 173.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.81 122.03 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.449 1.1 . . . . 0.0 112.291 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 18.8 t -61.02 140.2 57.89 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.602 0.715 . . . . 0.0 112.66 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 15.0 t -81.69 -21.22 38.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.694 1.198 . . . . 0.0 112.854 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -81.94 119.22 23.68 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.046 1.338 . . . . 0.0 110.905 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.82 -25.44 64.67 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.92 -10.2 59.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.499 1.12 . . . . 0.0 113.812 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.14 -59.55 1.98 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.664 1.985 . . . . 0.0 111.428 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.86 55.44 18.05 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.978 1.751 . . . . 0.0 114.13 170.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.409 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 22.5 t80 -103.22 152.38 21.55 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 112.069 -169.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -131.1 105.97 8.06 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.587 1.555 . . . . 0.0 109.163 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -126.99 154.58 44.42 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -168.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 38.9 t -77.03 122.9 25.58 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.979 1.712 . . . . 0.0 109.499 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.23 -3.33 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 91.4 mt -98.34 -32.22 11.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.882 1.273 . . . . 0.0 113.101 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.2 p -124.6 -1.82 7.96 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 92.8 mt 56.2 31.45 18.4 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.235 1.814 . . . . 0.0 114.064 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 81.7 m -108.66 173.29 6.39 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.683 1.593 . . . . 0.0 110.311 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.37 134.98 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.845 -0.534 . . . . 0.0 111.027 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.35 134.49 56.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.175 0.99 . . . . 0.0 113.632 -169.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -126.41 21.86 7.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.955 1.302 . . . . 0.0 113.879 -175.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 55.62 -126.76 40.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.327 0.965 . . . . 0.0 113.866 172.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.1 m -83.19 -1.18 52.36 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -74.11 168.85 18.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.361 0.982 . . . . 0.0 113.15 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -83.67 142.98 30.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.357 1.063 . . . . 0.0 112.441 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.2 152.62 45.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.726 1.21 . . . . 0.0 112.688 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -81.88 158.53 23.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.681 1.192 . . . . 0.0 112.959 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -68.43 140.54 55.78 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.956 1.302 . . . . 0.0 111.531 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 0 C-N-CA 125.445 1.498 . . . . 0.0 113.341 176.782 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -83.02 162.82 21.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.504 1.121 . . . . 0.0 111.93 172.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -79.25 7.14 8.22 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -150.72 124.11 8.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.475 1.91 . . . . 0.0 110.839 170.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.8 mt -148.91 135.99 19.99 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.487 2.315 . . . . 0.0 107.847 168.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -101.74 151.56 37.94 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 124.117 0.967 . . . . 0.0 112.39 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.07 136.96 28.13 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.292 2.661 . . . . 0.0 111.245 171.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.3 131.65 81.02 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 125.627 1.571 . . . . 0.0 111.715 170.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.29 -9.31 21.57 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.574 3.516 . . . . 0.0 113.795 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -104.78 -46.32 4.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.867 1.267 . . . . 0.0 113.994 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -124.99 -1.36 7.8 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.15 13.51 4.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.355 1.862 . . . . 0.0 114.742 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 46.5 m -65.14 149.03 97.46 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 111.004 171.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.28 110.6 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.138 2.559 . . . . 0.0 109.918 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -84.54 146.36 27.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.756 1.223 . . . . 0.0 111.447 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -62.28 107.83 0.98 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.735 1.214 . . . . 0.0 108.695 171.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -86.51 132.81 33.82 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 -171.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -125.77 69.59 64.44 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.931 1.292 . . . . 0.0 110.008 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -62.18 -25.63 77.18 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 124.056 3.171 . . . . 0.0 114.369 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.6 -23.67 59.96 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.061 1.744 . . . . 0.0 113.705 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.24 -8.63 15.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.119 1.768 . . . . 0.0 113.586 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 53.79 40.99 32.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.485 1.914 . . . . 0.0 113.045 -169.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -120.34 148.89 43.16 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.842 1.657 . . . . 0.0 110.777 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.93 130.69 4.79 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 44.8 mt -118.64 120.52 37.7 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.224 1.01 . . . . 0.0 112.074 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.5 t -59.44 134.96 57.49 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 112.169 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.2 t -78.92 -20.8 48.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 112.819 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -77.28 117.62 18.97 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.04 1.336 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.91 -23.75 64.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.95 -10.17 59.23 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.432 1.093 . . . . 0.0 113.804 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.7 t -114.8 -63.47 1.45 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.817 2.047 . . . . 0.0 111.083 -175.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.87 46.53 68.08 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.31 1.433 . . . . 0.0 114.093 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.8 t80 -93.65 149.71 21.01 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.883 1.273 . . . . 0.0 111.812 -169.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -123.91 106.25 10.28 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.69 1.596 . . . . 0.0 109.872 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -127.42 154.95 44.41 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.6 t -76.91 122.88 25.47 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.39 1.476 . . . . 0.0 109.66 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.35 -10.22 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -175.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 89.2 mt -93.66 -32.27 14.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.663 1.185 . . . . 0.0 112.985 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.65 2.0 4.48 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 116.153 1.909 . . . . 0.0 116.153 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.78 30.43 18.97 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.823 2.049 . . . . 0.0 115.159 170.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.8 m -106.52 174.52 5.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.417 1.487 . . . . 0.0 110.495 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.64 135.45 34.7 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.88 -0.513 . . . . 0.0 110.958 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.92 130.48 47.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.193 0.997 . . . . 0.0 112.714 -169.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -123.67 18.2 9.54 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.81 -119.25 10.61 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.872 1.225 . . . . 0.0 114.042 172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.8 p -85.35 -4.88 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.395 1.478 . . . . 0.0 114.908 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -70.14 160.12 32.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.187 0.995 . . . . 0.0 112.023 175.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -78.84 143.53 35.9 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.048 -1.032 . . . . 0.0 113.146 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.88 160.96 31.85 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.379 1.472 . . . . 0.0 113.491 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -71.46 156.94 38.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.517 1.127 . . . . 0.0 112.277 169.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 96.7 mtm-85 -81.49 156.56 25.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.598 1.159 . . . . 0.0 111.795 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 C-N-CA 125.427 1.489 . . . . 0.0 113.543 176.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.93 1.34 1.13 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.124 1.37 . . . . 0.0 114.381 -178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.64 173.13 6.56 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.098 2.159 . . . . 0.0 113.003 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -131.61 117.69 19.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.381 1.472 . . . . 0.0 109.726 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.11 135.7 21.97 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.466 2.306 . . . . 0.0 108.358 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -102.5 151.76 38.26 Favored Pre-proline 0 N--CA 1.474 0.733 0 C-N-CA 124.573 1.149 . . . . 0.0 112.135 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.7 136.03 27.2 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.191 2.594 . . . . 0.0 111.313 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.6 t -57.62 131.54 82.12 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.619 1.568 . . . . 0.0 111.428 170.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.8 -8.45 19.67 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 124.437 3.424 . . . . 0.0 113.933 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -105.43 -45.56 4.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.918 1.287 . . . . 0.0 114.147 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.6 p -123.97 -2.8 8.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 60.95 14.06 5.01 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.224 1.81 . . . . 0.0 114.662 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 m -65.29 150.13 96.09 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.874 0.87 . . . . 0.0 110.877 171.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.3 107.99 0.91 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.929 2.419 . . . . 0.0 109.992 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.63 144.16 30.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.781 1.232 . . . . 0.0 110.905 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -62.54 110.42 1.69 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.245 1.018 . . . . 0.0 108.803 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -87.06 134.87 33.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.076 0.95 . . . . 0.0 111.158 -171.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.14 70.87 78.98 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.154 1.382 . . . . 0.0 109.843 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.8 -27.76 80.92 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.546 2.83 . . . . 0.0 113.621 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -70.69 -18.26 62.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.937 1.695 . . . . 0.0 114.012 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.38 1.27 11.79 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.41 1.884 . . . . 0.0 113.437 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 44.95 42.39 6.21 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.949 2.099 . . . . 0.0 113.309 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.6 ttt180 -124.22 150.93 44.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.573 1.549 . . . . 0.0 111.043 -172.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.87 131.84 5.12 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 38.5 mt -119.06 122.17 41.52 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 112.168 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 19.7 t -60.53 137.83 58.11 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.466 0.651 . . . . 0.0 112.411 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 18.0 t -79.77 -21.65 44.14 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.498 1.119 . . . . 0.0 112.895 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -77.88 118.61 20.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.91 1.284 . . . . 0.0 110.712 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.85 -26.58 66.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -74.6 -15.35 60.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 0.0 113.782 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 48.5 t -105.65 -62.09 1.41 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.607 1.963 . . . . 0.0 111.047 -176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.78 48.81 60.58 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.431 1.491 . . . . 0.0 114.226 169.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 26.3 t80 -97.54 153.49 18.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.713 1.205 . . . . 0.0 112.105 -169.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -130.65 106.33 8.41 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.8 1.64 . . . . 0.0 109.93 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -128.17 155.43 44.48 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 42.9 t -77.16 125.03 28.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.158 1.783 . . . . 0.0 110.103 169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.0 m -78.91 -6.44 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -174.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.3 -37.3 12.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.108 0.963 . . . . 0.0 113.444 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -121.82 -2.02 9.35 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.0 mt 56.23 30.33 16.43 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.116 1.766 . . . . 0.0 114.237 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 72.3 m -106.72 172.88 6.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.36 1.464 . . . . 0.0 110.3 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.23 134.83 39.09 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 82.0 t80 -57.0 130.99 48.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.981 0.912 . . . . 0.0 113.024 -169.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -120.5 18.19 12.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.6 -117.68 6.8 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.908 1.242 . . . . 0.0 114.428 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.8 m -81.61 -6.72 59.27 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.86 153.19 41.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.518 1.053 . . . . 0.0 112.017 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -77.25 151.62 35.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.519 0.727 . . . . 0.0 111.26 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.0 151.63 39.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.084 0.954 . . . . 0.0 112.677 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -122.92 152.7 40.57 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.469 1.507 . . . . 0.0 112.542 -169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.85 126.69 30.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.249 1.42 . . . . 0.0 110.353 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.325 0 C-N-CA 125.269 1.414 . . . . 0.0 113.956 178.247 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.36 57.05 6.59 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.748 1.619 . . . . 0.0 113.448 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -136.29 164.81 27.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.091 1.757 . . . . 0.0 113.001 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -152.41 134.73 15.12 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.739 1.615 . . . . 0.0 110.125 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.62 129.1 14.94 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.573 2.349 . . . . 0.0 108.465 168.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -93.15 150.27 38.88 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 123.601 0.761 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -72.18 138.78 31.23 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.088 2.525 . . . . 0.0 111.422 171.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.23 131.97 84.33 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.574 1.55 . . . . 0.0 111.807 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.79 -9.89 24.62 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.511 3.474 . . . . 0.0 113.879 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -104.6 -45.21 4.68 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.865 1.266 . . . . 0.0 114.005 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.8 p -125.69 -1.85 7.32 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 60.94 13.92 4.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.129 1.772 . . . . 0.0 114.61 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 43.6 m -65.16 148.87 97.59 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 123.939 0.896 . . . . 0.0 110.775 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.29 110.54 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.864 2.376 . . . . 0.0 109.814 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -83.09 146.26 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.545 1.138 . . . . 0.0 111.214 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.32 106.88 0.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.637 1.175 . . . . 0.0 108.582 170.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -85.6 133.46 34.05 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.97 0.908 . . . . 0.0 110.954 -172.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -126.51 68.89 68.8 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 124.82 1.248 . . . . 0.0 110.014 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -62.34 -25.85 76.66 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.767 2.978 . . . . 0.0 113.924 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -71.08 -20.03 62.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.751 1.62 . . . . 0.0 113.817 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.01 -7.03 12.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.271 1.828 . . . . 0.0 113.585 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 56.4 mttp 51.83 44.34 29.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.529 1.932 . . . . 0.0 112.866 -169.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -121.91 150.63 41.72 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.49 130.76 4.9 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 42.3 mt -118.32 120.76 38.61 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.341 1.056 . . . . 0.0 112.162 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.5 t -59.1 136.84 58.08 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.142 0.577 . . . . 0.0 112.231 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 8.0 t -84.57 -10.49 57.35 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.073 0.949 . . . . 0.0 113.22 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -85.17 119.78 25.94 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.876 1.271 . . . . 0.0 110.549 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.32 -25.04 64.92 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 -173.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.09 -8.68 57.55 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.512 1.125 . . . . 0.0 113.943 173.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 46.8 t -116.49 -64.1 1.36 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.584 1.953 . . . . 0.0 111.175 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.82 47.18 66.1 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.208 1.385 . . . . 0.0 114.271 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.417 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 30.1 t80 -94.49 151.64 19.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.042 1.337 . . . . 0.0 112.028 -169.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -126.38 106.07 9.23 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.582 1.553 . . . . 0.0 109.979 -173.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -127.78 155.78 43.5 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -169.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.26 126.03 30.2 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.021 1.728 . . . . 0.0 110.344 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 23.9 m -79.85 -3.48 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -174.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 52.7 mt -97.55 -36.92 10.15 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.134 0.974 . . . . 0.0 113.452 176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -121.62 -1.5 9.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.2 mt 56.54 28.41 13.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.148 1.779 . . . . 0.0 114.395 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.9 m -104.43 174.39 5.89 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.54 1.536 . . . . 0.0 110.367 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.16 135.09 38.48 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.873 -0.517 . . . . 0.0 111.091 175.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -58.67 132.16 53.02 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.307 1.043 . . . . 0.0 113.281 -169.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -125.25 19.94 8.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.922 1.289 . . . . 0.0 114.107 -174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.2 -123.01 29.83 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.428 1.013 . . . . 0.0 114.015 172.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 68.1 p -87.03 -2.81 58.9 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.56 159.63 32.99 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.922 -1.111 . . . . 0.0 111.617 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.33 146.58 30.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.052 0.941 . . . . 0.0 112.843 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.7 m -71.83 177.19 4.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.68 1.592 . . . . 0.0 113.411 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -131.75 63.76 1.61 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.489 1.916 . . . . 0.0 110.091 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 23.8 mtp-105 -79.27 -18.99 51.68 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.313 1.445 . . . . 0.0 114.703 -169.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.338 0 C-N-CA 125.786 1.66 . . . . 0.0 113.626 179.735 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.661 -0.125 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -103.1 0.19 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.25 1.42 . . . . 0.0 114.645 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -84.46 156.17 21.88 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.381 1.472 . . . . 0.0 112.463 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -148.31 126.52 12.18 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.374 1.47 . . . . 0.0 110.372 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.9 mt -148.4 132.65 17.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.598 2.359 . . . . 0.0 108.406 169.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -99.13 148.53 34.73 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 123.785 0.834 . . . . 0.0 112.248 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.33 135.07 26.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.963 2.442 . . . . 0.0 111.183 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 8.9 t -56.91 132.77 79.59 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.353 1.461 . . . . 0.0 111.912 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 -11.25 31.44 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.102 3.202 . . . . 0.0 113.587 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -94.63 -47.54 6.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.623 1.169 . . . . 0.0 113.939 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 14.4 p -133.38 2.6 3.55 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -168.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 61.71 13.13 5.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.406 1.882 . . . . 0.0 115.445 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.9 t -60.48 143.89 89.26 Favored Pre-proline 0 CA--C 1.543 0.685 0 O-C-N 121.205 -0.934 . . . . 0.0 111.032 169.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.89 88.83 0.44 Allowed 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.736 2.957 . . . . 0.0 110.487 174.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -66.18 149.11 50.82 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.806 1.643 . . . . 0.0 112.107 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.61 107.44 0.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.691 1.196 . . . . 0.0 109.36 173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -86.09 134.08 33.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.981 0.912 . . . . 0.0 111.097 -172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -127.74 71.52 77.97 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 109.842 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.89 -28.41 81.14 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.61 2.874 . . . . 0.0 113.516 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.41 -17.68 63.02 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.932 1.693 . . . . 0.0 114.046 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.9 1.25 11.49 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.389 1.876 . . . . 0.0 113.451 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 53.3 mttp 45.02 42.33 6.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.811 2.045 . . . . 0.0 113.131 -169.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 66.4 ttt180 -124.46 150.4 45.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.561 1.544 . . . . 0.0 110.98 -171.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.02 130.63 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 174.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 37.8 mt -116.95 123.28 46.57 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.343 1.057 . . . . 0.0 111.691 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 23.9 t -58.04 140.97 51.37 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.969 0.89 . . . . 0.0 113.02 -173.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.4 m -89.87 -5.84 56.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.317 1.447 . . . . 0.0 113.23 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -91.05 119.53 31.28 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.424 1.49 . . . . 0.0 110.398 171.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.49 -29.35 68.76 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.51 59.68 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 35.7 t -97.07 -60.38 1.6 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.296 1.838 . . . . 0.0 111.253 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.64 53.02 34.62 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.224 1.392 . . . . 0.0 114.072 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.403 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 35.3 t80 -99.34 156.78 16.82 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 111.917 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -131.67 106.02 7.89 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.542 1.537 . . . . 0.0 109.858 -173.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -127.02 154.75 44.24 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.74 124.64 27.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.056 1.743 . . . . 0.0 109.955 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 22.2 m -79.56 -4.28 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -175.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.0 mt -93.51 -36.77 12.27 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.126 175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.8 1.28 7.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.22 31.23 18.01 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.238 1.815 . . . . 0.0 114.402 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 76.3 m -108.87 173.38 6.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.333 1.453 . . . . 0.0 110.317 171.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.14 135.01 38.52 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.939 -0.475 . . . . 0.0 110.967 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.401 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 83.1 t80 -57.27 131.31 49.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.17 0.988 . . . . 0.0 112.997 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -124.96 19.68 8.4 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.82 -118.19 8.51 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.753 1.168 . . . . 0.0 114.194 170.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.7 p -87.09 -3.92 59.11 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.441 1.497 . . . . 0.0 114.954 -178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.16 160.68 31.59 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.108 -0.995 . . . . 0.0 112.168 175.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.64 146.29 34.16 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.259 -0.901 . . . . 0.0 112.979 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 92.1 m -69.33 162.02 28.13 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.147 1.379 . . . . 0.0 113.18 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -63.35 147.81 50.11 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.432 1.493 . . . . 0.0 113.001 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -91.9 -30.73 15.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.642 1.177 . . . . 0.0 113.18 174.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 C-N-CA 126.042 1.782 . . . . 0.0 112.405 173.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.298 0.094 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -139.24 154.07 47.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.746 1.618 . . . . 0.0 111.805 -175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -81.23 166.38 20.63 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 113.419 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -86.52 92.47 8.88 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.642 1.177 . . . . 0.0 110.22 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.4 mt -146.72 133.18 19.68 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.429 1.892 . . . . 0.0 109.245 172.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -104.33 151.32 39.09 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.996 1.318 . . . . 0.0 112.139 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.23 136.25 28.75 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.232 2.622 . . . . 0.0 111.546 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.79 131.72 82.77 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.987 1.315 . . . . 0.0 111.048 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -66.66 -5.85 14.04 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 124.188 3.259 . . . . 0.0 113.949 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -109.23 -44.7 3.88 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.133 1.373 . . . . 0.0 114.4 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 18.1 p -123.28 -1.31 8.69 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 61.34 14.07 5.43 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.41 1.884 . . . . 0.0 114.855 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 16.0 m -65.72 148.7 98.05 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 124.766 1.226 . . . . 0.0 111.274 173.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.2 93.35 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.273 2.649 . . . . 0.0 110.418 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -71.41 151.57 43.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.48 1.512 . . . . 0.0 111.667 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.95 107.47 1.0 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.345 1.058 . . . . 0.0 109.442 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -82.48 135.63 35.08 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.899 0.879 . . . . 0.0 111.067 -175.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.35 70.86 79.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.25 1.42 . . . . 0.0 109.642 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.94 -29.29 81.92 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.54 2.827 . . . . 0.0 113.398 -174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -69.17 -16.97 63.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.972 1.709 . . . . 0.0 114.057 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -119.0 1.77 11.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.487 1.915 . . . . 0.0 113.392 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp 45.44 41.15 6.31 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.516 1.926 . . . . 0.0 112.908 -169.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -126.08 151.37 47.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.516 1.526 . . . . 0.0 110.998 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.11 131.28 5.35 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 34.0 mt -116.62 125.13 51.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.108 0.963 . . . . 0.0 111.506 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.6 140.95 55.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 122.087 0.946 . . . . 0.0 112.799 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 66.5 m -88.25 -8.08 55.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.494 1.517 . . . . 0.0 113.195 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -91.34 119.24 31.2 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.729 1.611 . . . . 0.0 110.279 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.59 -28.82 68.09 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.1 -18.11 59.32 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.68 -61.33 1.39 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.439 1.896 . . . . 0.0 111.175 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 53.51 49.82 55.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.202 1.382 . . . . 0.0 114.323 170.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -96.89 154.31 17.37 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.072 1.349 . . . . 0.0 112.046 -169.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -129.25 105.19 7.98 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.48 1.512 . . . . 0.0 109.66 -173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.41 154.53 43.48 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 44.8 t -77.31 126.19 30.53 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.076 1.751 . . . . 0.0 110.01 169.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -80.77 -4.15 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.21 -34.7 12.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.443 1.097 . . . . 0.0 112.997 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.98 -1.81 7.15 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.4 mt 56.47 30.43 17.09 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.138 1.775 . . . . 0.0 114.366 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.6 m -105.88 173.41 6.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.13 1.372 . . . . 0.0 110.395 170.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.24 135.01 39.06 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.931 0.493 . . . . 0.0 110.888 174.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.01 129.43 41.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.986 0.914 . . . . 0.0 112.663 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -120.32 17.59 12.25 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -171.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 52.29 -116.1 4.82 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.042 1.306 . . . . 0.0 114.227 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 24.8 m -82.51 -6.55 59.38 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -72.46 154.75 40.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.489 1.04 . . . . 0.0 112.083 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -76.63 150.91 36.37 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.494 0.718 . . . . 0.0 111.411 169.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 70.7 m -63.54 152.0 39.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.364 1.065 . . . . 0.0 112.919 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -128.41 156.67 42.79 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.878 1.671 . . . . 0.0 111.793 -171.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.16 4.66 29.49 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 CA-C-O 117.697 -1.613 . . . . 0.0 113.036 -174.142 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -134.17 3.07 3.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -172.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.93 168.25 11.82 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.216 1.406 . . . . 0.0 113.14 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -152.06 142.71 22.79 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.358 1.863 . . . . 0.0 109.224 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 96.7 mt -148.12 149.73 32.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.295 2.638 . . . . 0.0 108.857 169.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 149.23 43.79 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 125.208 1.403 . . . . 0.0 111.25 170.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.59 145.93 48.11 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.82 2.347 . . . . 0.0 112.198 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 4.6 t -60.7 130.93 90.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.62 0.768 . . . . 0.0 111.271 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.01 -11.93 32.2 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.866 3.711 . . . . 0.0 113.939 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -103.1 -43.78 5.39 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.837 1.255 . . . . 0.0 113.795 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 13.2 p -132.85 0.35 3.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 61.6 23.51 13.79 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.59 1.556 . . . . 0.0 114.568 174.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 p -60.49 156.44 42.51 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 111.614 169.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.69 68.72 4.54 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.929 3.086 . . . . 0.0 110.687 171.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -55.65 140.22 42.06 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.902 1.681 . . . . 0.0 112.527 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -60.42 107.22 0.63 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.139 1.376 . . . . 0.0 109.639 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -84.07 134.65 34.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.043 0.937 . . . . 0.0 111.106 -174.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -128.45 70.47 79.69 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.108 1.363 . . . . 0.0 109.769 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -61.98 -27.54 79.72 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.414 2.743 . . . . 0.0 113.47 -175.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -70.1 -17.02 63.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.837 1.655 . . . . 0.0 114.048 173.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -119.71 2.24 11.11 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.416 1.886 . . . . 0.0 113.468 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 75.5 mttt 45.23 41.27 5.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.685 1.994 . . . . 0.0 113.238 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 69.2 ttt180 -124.59 151.15 45.15 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.714 1.606 . . . . 0.0 111.225 -171.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.51 133.08 5.92 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 173.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 39.1 mt -118.64 124.37 47.25 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.267 1.027 . . . . 0.0 111.708 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 23.5 t -58.34 139.28 55.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 75.5 m -90.58 -2.34 57.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.126 1.37 . . . . 0.0 113.585 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -95.5 117.58 30.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.593 1.557 . . . . 0.0 110.166 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -25.74 65.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.84 60.3 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 26.6 t -109.19 -62.55 1.47 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.869 2.067 . . . . 0.0 110.939 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 54.51 52.72 43.16 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 113.97 170.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -98.32 156.84 16.53 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.365 1.466 . . . . 0.0 112.004 -169.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -130.1 106.33 8.54 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.749 1.62 . . . . 0.0 109.832 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -127.09 155.08 43.87 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -168.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 40.1 t -78.05 126.8 31.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.179 1.792 . . . . 0.0 110.327 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 21.4 m -81.6 -3.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 57.0 mt -95.23 -35.62 11.76 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.15 0.98 . . . . 0.0 113.155 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.5 p -124.3 -1.89 8.1 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 91.5 mt 56.46 28.18 13.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.914 1.686 . . . . 0.0 114.227 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.76 174.14 6.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.508 1.523 . . . . 0.0 110.358 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -54.15 137.29 40.88 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.702 -0.623 . . . . 0.0 111.11 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.406 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.2 t80 -58.35 133.61 55.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.91 0.884 . . . . 0.0 113.36 -169.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -127.19 22.6 6.58 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.875 1.27 . . . . 0.0 113.91 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.96 -125.59 39.35 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.243 0.925 . . . . 0.0 114.175 170.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 65.1 p -85.88 -2.62 58.44 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.272 1.429 . . . . 0.0 114.635 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.06 157.78 37.15 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.147 -0.971 . . . . 0.0 111.842 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -79.72 147.41 31.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.493 1.117 . . . . 0.0 113.272 177.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.39 166.04 19.51 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.304 1.442 . . . . 0.0 113.647 -179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -67.45 144.87 55.5 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.264 1.426 . . . . 0.0 112.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -137.86 157.92 45.41 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.36 1.864 . . . . 0.0 111.628 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 C-N-CA 125.453 1.502 . . . . 0.0 113.644 -178.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -137.75 150.22 47.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.328 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -138.76 157.78 45.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.292 1.437 . . . . 0.0 112.205 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -154.22 137.45 15.68 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.562 1.945 . . . . 0.0 109.089 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 95.3 mt -148.54 140.44 23.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.695 2.398 . . . . 0.0 108.81 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -104.28 150.56 38.54 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.656 1.183 . . . . 0.0 112.588 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -70.21 137.21 33.62 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.35 2.7 . . . . 0.0 111.474 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 28.7 t -56.34 130.24 75.3 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.301 1.44 . . . . 0.0 111.244 169.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.67 -8.57 23.65 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.76 2.973 . . . . 0.0 113.384 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -97.56 -50.42 4.5 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 113.939 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 16.8 p -124.13 0.68 8.48 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -169.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 61.41 10.95 3.42 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.31 2.244 . . . . 0.0 116.203 172.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.8 m -74.36 151.21 87.6 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 121.06 -1.025 . . . . 0.0 111.616 170.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -67.62 104.05 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.55 2.833 . . . . 0.0 110.769 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -78.87 154.22 29.93 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.034 1.734 . . . . 0.0 111.618 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -63.01 108.49 1.23 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.405 1.082 . . . . 0.0 109.43 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -87.77 134.23 33.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.906 0.883 . . . . 0.0 111.534 -172.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -128.53 69.2 78.98 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.309 1.443 . . . . 0.0 109.85 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -62.1 -25.85 77.67 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 124.069 3.179 . . . . 0.0 114.366 -173.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -73.35 -21.89 60.43 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.112 1.765 . . . . 0.0 113.731 174.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -111.03 0.55 16.99 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.463 1.905 . . . . 0.0 113.227 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm 45.75 39.61 5.41 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.97 2.108 . . . . 0.0 113.495 -169.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -121.41 150.22 41.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.542 1.537 . . . . 0.0 111.024 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.34 133.54 6.2 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 173.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 43.8 mt -118.89 122.75 43.02 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.262 1.025 . . . . 0.0 111.822 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 37.2 t -57.37 141.39 47.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.192 0.996 . . . . 0.0 113.115 -174.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 46.7 p -84.35 -11.25 56.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.249 1.819 . . . . 0.0 113.787 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 30.7 ttm105 -95.11 119.14 33.11 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.945 1.698 . . . . 0.0 110.8 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.15 -26.56 65.84 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.9 -9.37 58.64 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.479 1.112 . . . . 0.0 113.999 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.27 -59.97 1.9 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.936 2.094 . . . . 0.0 110.552 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 52.39 52.37 37.38 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.618 1.58 . . . . 0.0 113.971 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.406 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 29.3 t80 -97.27 149.33 22.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.985 1.314 . . . . 0.0 111.578 -169.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -125.33 105.68 9.28 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.481 1.512 . . . . 0.0 109.057 -175.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -126.04 154.27 43.24 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -168.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.08 123.6 27.05 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.777 1.631 . . . . 0.0 109.607 169.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.34 -5.53 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.17 -31.62 12.89 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.689 1.196 . . . . 0.0 112.909 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.0 p -128.57 0.27 5.55 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 94.0 mt 56.34 31.9 19.51 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.527 1.931 . . . . 0.0 114.693 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.9 m -106.46 174.04 6.06 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.394 1.478 . . . . 0.0 110.303 169.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.62 137.15 37.73 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.795 -0.566 . . . . 0.0 110.888 172.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -58.34 127.14 30.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.09 0.956 . . . . 0.0 111.972 -170.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -118.81 16.55 13.51 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -168.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 53.13 -114.83 4.0 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.736 1.16 . . . . 0.0 114.309 169.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.6 p -86.48 -6.76 58.82 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -74.89 162.08 28.95 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.101 -0.999 . . . . 0.0 111.646 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.96 157.13 26.94 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.194 -0.941 . . . . 0.0 113.314 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 95.0 m -71.58 174.9 6.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.758 1.623 . . . . 0.0 113.09 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 75.9 mmt-85 -68.16 136.53 53.8 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.953 1.301 . . . . 0.0 110.894 175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -129.06 157.53 41.48 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.989 1.716 . . . . 0.0 111.926 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 C-N-CA 125.521 1.534 . . . . 0.0 112.718 179.632 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.72 -2.71 24.56 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.621 1.169 . . . . 0.0 113.863 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -80.52 162.86 24.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.528 . . . . 0.0 111.985 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -77.03 84.14 3.54 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.542 -0.724 . . . . 0.0 110.228 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 94.3 mt -150.15 127.36 11.31 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.94 2.096 . . . . 0.0 108.776 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -98.98 151.6 37.45 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 124.279 1.032 . . . . 0.0 112.025 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.99 132.32 21.14 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.252 2.634 . . . . 0.0 111.082 172.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 16.1 t -55.39 130.92 70.1 Favored Pre-proline 0 CA--C 1.546 0.801 0 C-N-CA 125.572 1.549 . . . . 0.0 111.601 171.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.78 -7.88 22.18 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.681 2.921 . . . . 0.0 113.577 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -95.2 -51.52 4.58 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.891 1.277 . . . . 0.0 113.814 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 19.6 p -123.0 -1.62 8.8 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -168.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 61.43 13.54 5.12 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.802 2.041 . . . . 0.0 114.843 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 14.8 m -66.25 149.71 97.61 Favored Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.609 1.164 . . . . 0.0 111.316 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.96 105.26 0.79 Allowed 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.06 2.507 . . . . 0.0 110.155 173.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -82.35 149.61 27.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.841 1.256 . . . . 0.0 111.648 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.14 108.53 1.28 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.777 1.231 . . . . 0.0 109.225 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -83.9 135.97 34.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.88 0.872 . . . . 0.0 111.262 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -127.51 70.55 76.49 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.772 1.229 . . . . 0.0 109.958 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -62.57 -25.77 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.677 2.918 . . . . 0.0 113.926 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -71.94 -18.85 61.98 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.819 1.647 . . . . 0.0 113.908 174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -117.37 -7.88 11.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.169 1.788 . . . . 0.0 113.827 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 54.3 mttp 51.57 46.32 26.69 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.361 1.864 . . . . 0.0 112.71 -169.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -124.04 150.73 44.58 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.136 1.774 . . . . 0.0 110.724 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -139.76 130.54 4.76 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.0 0.809 . . . . 0.0 111.104 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 46.6 mt -119.22 124.67 47.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.421 1.088 . . . . 0.0 112.351 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 598' ' ' PHE . 24.8 t -61.09 145.39 51.07 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 7.7 t -89.09 -12.48 41.08 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.039 1.336 . . . . 0.0 113.276 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -88.53 119.16 28.72 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.193 1.397 . . . . 0.0 110.634 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.67 -29.34 68.6 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.56 -18.36 58.71 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 40.5 t -97.03 -58.38 2.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.407 1.883 . . . . 0.0 111.643 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 49.65 57.23 9.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.123 1.82 . . . . 0.0 114.174 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . 0.421 ' H ' ' HB3' ' A' ' 591' ' ' CYS . 20.2 t80 -104.44 154.12 20.26 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.728 1.211 . . . . 0.0 112.249 -169.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -132.72 106.51 7.81 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -126.81 155.33 43.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -168.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 43.6 t -77.38 124.56 28.04 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.626 1.57 . . . . 0.0 110.023 169.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.47 -5.57 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -174.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.51 -38.01 9.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.054 . . . . 0.0 113.573 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 29.4 p -119.71 -0.54 10.73 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 87.6 mt 55.37 30.88 15.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.43 1.892 . . . . 0.0 114.472 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 71.0 m -108.78 174.76 5.73 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.528 1.531 . . . . 0.0 110.238 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -52.76 134.17 36.65 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.938 -0.476 . . . . 0.0 111.109 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -58.12 131.65 51.16 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.502 1.121 . . . . 0.0 113.094 -169.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -124.43 19.44 8.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.915 1.286 . . . . 0.0 113.999 -172.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.23 -124.17 29.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.637 1.113 . . . . 0.0 113.936 172.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 23.7 m -83.72 -3.61 57.93 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.88 161.07 30.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.43 1.092 . . . . 0.0 111.938 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.1 144.67 32.91 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.989 -1.07 . . . . 0.0 113.655 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 98.4 m -71.25 155.96 40.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.363 1.465 . . . . 0.0 113.573 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -72.75 154.07 40.84 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.743 1.217 . . . . 0.0 112.991 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -76.77 -30.79 56.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.619 1.168 . . . . 0.0 113.17 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.837 1.684 . . . . 0.0 112.729 178.842 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.722 0.296 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -82.48 142.1 32.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.007 0.923 . . . . 0.0 112.084 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.28 151.49 42.07 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.526 1.53 . . . . 0.0 111.737 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -95.49 92.68 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.515 1.126 . . . . 0.0 109.764 170.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 81.0 mt -146.86 153.02 39.66 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.936 2.094 . . . . 0.0 109.211 170.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.76 153.53 52.43 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 125.573 1.549 . . . . 0.0 112.286 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.58 138.45 29.49 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.385 2.723 . . . . 0.0 111.671 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.94 132.69 86.96 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.92 1.688 . . . . 0.0 112.015 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.47 -10.1 27.26 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.824 3.016 . . . . 0.0 113.653 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -92.35 -51.01 5.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.357 1.063 . . . . 0.0 113.65 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' CYS . . . . . . . . . . . . . 17.3 p -125.27 -2.34 7.55 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -168.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 61.61 14.68 6.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.36 1.864 . . . . 0.0 114.648 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 48.8 m -64.31 148.79 95.6 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.795 0.838 . . . . 0.0 111.083 171.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.33 106.52 1.04 Allowed 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 123.364 2.709 . . . . 0.0 110.127 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.62 147.05 26.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.94 1.296 . . . . 0.0 111.989 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -58.8 107.54 0.53 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.473 1.509 . . . . 0.0 109.101 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -86.2 132.71 33.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.106 0.562 . . . . 0.0 111.256 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -129.24 67.41 78.57 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 125.146 1.379 . . . . 0.0 109.991 -178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.29 -22.77 72.27 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.854 3.036 . . . . 0.0 114.271 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -73.18 -22.89 60.39 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.834 1.653 . . . . 0.0 113.664 172.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -109.91 0.76 18.78 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.534 1.934 . . . . 0.0 113.209 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm 46.07 39.58 6.03 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.114 2.166 . . . . 0.0 113.449 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.405 ' HD2' ' CZ ' ' A' ' 608' ' ' TYR . 62.8 ttt180 -121.14 149.14 43.23 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.687 1.595 . . . . 0.0 111.217 -172.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -140.09 133.39 5.99 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.0 123.47 42.49 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.305 1.042 . . . . 0.0 112.176 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.73 141.48 57.84 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 121.613 0.72 . . . . 0.0 112.717 -177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 t -82.46 -21.06 35.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.695 1.198 . . . . 0.0 112.808 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -82.38 119.33 24.02 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 111.013 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.66 -25.69 64.94 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.12 59.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.494 1.117 . . . . 0.0 113.863 173.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 43.9 t -111.87 -59.47 1.98 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.754 2.022 . . . . 0.0 111.492 -175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 50.35 57.09 10.84 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.914 1.721 . . . . 0.0 114.037 170.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -103.92 153.45 20.77 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.797 1.239 . . . . 0.0 112.052 -169.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -132.04 106.22 7.88 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.683 1.593 . . . . 0.0 109.412 -174.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -126.73 154.58 43.98 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.36 122.66 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.698 1.599 . . . . 0.0 109.336 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . . . . . . . . . 19.0 m -77.43 -7.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 92.3 mt -94.52 -32.31 13.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.741 1.217 . . . . 0.0 113.167 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . . . . . . . . . 30.3 p -127.96 0.86 5.95 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' LEU . . . . . . . . . . . . . 93.6 mt 56.18 33.06 21.39 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.559 1.944 . . . . 0.0 114.427 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 82.5 m -111.23 173.64 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.613 1.565 . . . . 0.0 110.267 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -53.28 135.45 38.55 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.811 -0.556 . . . . 0.0 111.107 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 588' ' ' ARG . 78.8 t80 -57.4 133.6 55.31 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.102 0.961 . . . . 0.0 113.332 -169.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -126.93 21.06 6.93 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.724 1.21 . . . . 0.0 114.084 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 56.43 -126.33 40.72 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.471 1.034 . . . . 0.0 114.024 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 66.5 p -85.74 -2.54 58.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.317 1.447 . . . . 0.0 114.801 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -69.25 158.98 33.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.063 -1.023 . . . . 0.0 111.956 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.03 143.89 43.31 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.089 -1.007 . . . . 0.0 113.014 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.69 161.6 29.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.044 1.338 . . . . 0.0 113.4 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 48.6 ptt85 -67.17 167.32 12.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.845 1.658 . . . . 0.0 113.133 171.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 10.5 ptm85 -77.32 163.83 26.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.527 1.131 . . . . 0.0 111.787 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 C-N-CA 125.841 1.686 . . . . 0.0 113.672 -179.789 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_