data_1n72_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 1n72 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 5.1 ptm . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.239 0.542 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.5 t -130.75 151.99 50.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 0.0 110.563 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.22 131.84 49.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.263 -0.898 . . . . 0.0 110.299 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -162.51 70.5 2.14 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.186 -0.946 . . . . 0.0 110.65 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . 0.432 ' CD ' ' OG1' ' A' ' 731' ' ' THR . 86.0 Cg_endo -84.23 -162.48 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.772 1.406 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.22 51.99 0.31 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.346 -0.846 . . . . 0.0 109.78 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -156.77 167.64 14.07 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.485 -0.759 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.89 -58.57 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.698 1.368 . . . . 0.0 110.647 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 780' ' ' ARG . 0.1 OUTLIER -60.38 -46.04 91.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 110.354 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -19.16 62.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.211 -0.93 . . . . 0.0 110.46 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' LEU . . . . . 0.412 ' O ' HG21 ' A' ' 731' ' ' THR . 3.9 tp -65.15 -36.94 85.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.952 . . . . 0.0 110.355 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 777' ' ' LEU . 1.6 t80 -51.06 -47.34 61.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.848 -1.157 . . . . 0.0 109.928 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 83.7 p -70.51 -26.73 63.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.404 -0.81 . . . . 0.0 110.753 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 732' ' ' LEU . 0.5 OUTLIER -81.0 -47.15 14.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.995 -1.066 . . . . 0.0 109.958 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 788' ' ' PHE . 53.8 mt -57.37 -39.73 76.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 108.9 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -69.52 -39.93 77.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 109.239 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -48.32 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.202 -0.936 . . . . 0.0 108.753 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' ILE . . . . . 0.479 HD13 ' CE2' ' A' ' 788' ' ' PHE . 67.7 mt -56.91 -35.72 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 O-C-N 121.48 -0.762 . . . . 0.0 108.962 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 740' ' ' LYS . 0.4 OUTLIER -62.95 -50.3 71.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.523 -0.735 . . . . 0.0 109.125 177.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.61 -34.03 74.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.545 -0.722 . . . . 0.0 110.001 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -76.73 -33.91 58.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 735' ' ' ILE . 74.1 t -75.46 -49.13 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.436 ' HB2' ' CE ' ' A' ' 749' ' ' MET . 0.0 OUTLIER -64.49 -22.36 66.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.338 -0.852 . . . . 0.0 110.466 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 17.0 t -79.22 -21.8 45.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.0 110.414 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' HIS . . . . . 0.522 ' NE2' ' CD1' ' A' ' 819' ' ' PHE . 0.1 OUTLIER -53.83 163.61 0.7 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.94 . . . . 0.0 110.232 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.98 8.45 8.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.926 . . . . 0.0 111.279 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 747' ' ' PRO . 12.7 m -123.24 -5.08 8.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.853 -1.154 . . . . 0.0 111.34 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . 0.432 ' CB ' ' HA ' ' A' ' 740' ' ' LYS . . . -81.27 3.9 22.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.885 -1.134 . . . . 0.0 111.278 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' TRP . . . . . 0.578 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 69.9 p-90 -60.56 -27.7 3.59 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 120.854 -1.154 . . . . 0.0 112.513 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 12.6 Cg_endo -86.42 -1.0 8.36 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 N-CA-C 110.219 -0.724 . . . . 0.0 110.219 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' PHE . . . . . 0.426 ' CE1' ' SG ' ' A' ' 799' ' ' CYS . 7.2 m-85 -124.36 17.2 9.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.285 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 749' ' ' MET . 1.0 OUTLIER -92.51 19.41 7.31 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.028 -1.045 . . . . 0.0 110.458 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.72 173.85 0.75 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.566 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -82.71 135.59 7.96 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.949 1.5 . . . . 0.0 110.719 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 28.3 m -53.22 173.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.694 -0.628 . . . . 0.0 110.525 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.11 -169.96 1.75 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.542 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -33.32 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.229 -0.92 . . . . 0.0 110.202 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 756' ' ' GLU . 6.0 t -97.39 -24.66 15.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . 0.426 ' N ' HG21 ' A' ' 755' ' ' THR . 22.7 mt-10 -88.62 -41.89 12.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 0.0 110.083 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.1 130.4 88.16 Favored Pre-proline 0 C--N 1.303 -1.418 0 O-C-N 121.25 -0.906 . . . . 0.0 110.019 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.19 -35.7 43.78 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.452 1.238 . . . . 0.0 110.845 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 164.46 49.4 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -67.45 -19.88 65.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.207 -1.172 . . . . 0.0 110.308 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -3.47 32.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.42 -26.23 7.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.124 -0.985 . . . . 0.0 110.42 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . 0.504 ' CG1' ' CD1' ' A' ' 802' ' ' TYR . 11.4 p -123.76 -22.51 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 111.206 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 767' ' ' PRO . 42.2 mm -132.13 76.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.989 -1.069 . . . . 0.0 110.117 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -53.93 52.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.303 -0.873 . . . . 0.0 110.925 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.42 88.39 29.93 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.13 -0.981 . . . . 0.0 110.983 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' PRO . . . . . 0.413 ' HB3' ' CG2' ' A' ' 764' ' ' ILE . 57.2 Cg_endo -75.18 -20.16 16.78 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.611 1.321 . . . . 0.0 110.458 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' MET . . . . . 0.42 ' O ' ' CG2' ' A' ' 795' ' ' VAL . 86.8 mmm 58.41 70.7 0.63 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.51 -0.744 . . . . 0.0 110.517 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.32 -162.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.247 -0.908 . . . . 0.0 109.914 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 745' ' ' ALA . 54.7 mt -81.25 -0.56 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.081 -1.012 . . . . 0.0 110.827 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -40.22 7.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.917 -1.114 . . . . 0.0 110.726 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.46 -44.63 20.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.041 -1.037 . . . . 0.0 109.711 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' MET . . . . . 0.48 ' CE ' ' CD2' ' A' ' 792' ' ' LEU . 23.9 ptm -59.6 -35.87 75.18 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.174 -0.953 . . . . 0.0 109.324 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 50.6 p -68.37 -43.73 76.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.524 -0.735 . . . . 0.0 109.286 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -54.75 -34.98 63.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 110.27 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' ARG . . . . . 0.444 ' HB3' ' CB ' ' A' ' 781' ' ' TYR . 0.7 OUTLIER -80.21 -40.33 27.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.226 -0.921 . . . . 0.0 109.149 178.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' LEU . . . . . 0.476 ' O ' ' CE1' ' A' ' 729' ' ' TYR . 1.6 tt -61.32 -16.9 50.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.67 -0.644 . . . . 0.0 110.311 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LYS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 729' ' ' TYR . 0.2 OUTLIER -52.45 -22.2 4.51 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.079 -1.013 . . . . 0.0 110.185 -179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 780' ' ' ARG . 0.5 OUTLIER -124.85 -88.78 0.59 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.387 -0.82 . . . . 0.0 110.312 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 726' ' ' ASP . 3.3 mmt180 -147.33 9.43 0.95 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.341 -1.474 . . . . 0.0 110.824 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' TYR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 776' ' ' ARG . 10.2 m-85 -60.51 -36.53 78.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 110.561 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' TYR . . . . . 0.475 ' CE2' ' OD2' ' A' ' 791' ' ' ASP . 37.0 m-85 -120.11 90.83 3.41 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.241 -0.912 . . . . 0.0 110.17 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 732' ' ' LEU . 12.0 p -168.32 64.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.552 -0.718 . . . . 0.0 110.486 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 786' ' ' LYS . 5.7 t -159.07 49.51 0.34 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 56.43 -85.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.674 -0.641 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 784' ' ' SER . 6.1 tppt? -58.08 -27.66 63.87 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 110.861 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 784' ' ' SER . 0.9 OUTLIER -71.98 -46.94 55.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.013 -1.054 . . . . 0.0 110.828 -179.034 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 829' ' ' LEU . 31.9 t80 -72.83 -33.47 66.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.782 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' MET . . . . . 0.445 ' HE1' ' CB ' ' A' ' 829' ' ' LEU . 0.0 OUTLIER -69.59 -54.3 14.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.692 -0.63 . . . . 0.0 110.24 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.64 76.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' ASP . . . . . 0.475 ' OD2' ' CE2' ' A' ' 782' ' ' TYR . 11.5 t0 -57.32 -53.48 57.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.86 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' LEU . . . . . 0.527 ' CB ' ' CE2' ' A' ' 820' ' ' PHE . 0.1 OUTLIER -67.03 -51.33 56.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.061 -1.024 . . . . 0.0 109.594 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -31.52 46.56 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.497 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -42.62 91.98 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.458 -0.776 . . . . 0.0 109.066 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 768' ' ' MET . 40.6 t -59.58 -55.71 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.359 -0.838 . . . . 0.0 109.817 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 817' ' ' GLU . 25.5 m-85 -62.33 -60.53 3.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.375 -0.828 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -68.58 0.16 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 0.0 111.069 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 798' ' ' ASN . 2.0 m120 -46.9 -44.24 19.55 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.254 -0.904 . . . . 0.0 111.213 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' CYS . . . . . 0.426 ' SG ' ' CE1' ' A' ' 748' ' ' PHE . 11.1 m -61.18 -48.16 82.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 110.55 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . 0.443 ' HE2' ' CB ' ' A' ' 813' ' ' ALA . 48.4 mttt -68.18 -37.11 80.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.178 -0.952 . . . . 0.0 110.694 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -49.1 -55.67 11.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.867 . . . . 0.0 111.086 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' TYR . . . . . 0.504 ' CD1' ' CG1' ' A' ' 763' ' ' VAL . 2.1 t80 -91.87 26.47 2.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.094 -1.004 . . . . 0.0 110.768 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 799' ' ' CYS . 51.0 m-20 -131.88 103.57 14.39 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.201 -0.937 . . . . 0.0 110.149 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 806' ' ' GLU . 12.4 Cg_endo -60.07 -178.08 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.558 1.294 . . . . 0.0 110.282 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.36 62.49 0.74 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.778 1.41 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 804' ' ' PRO . 1.4 tt0 -57.12 -85.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.295 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 -49.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.086 -1.009 . . . . 0.0 109.753 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -113.61 -19.06 11.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 110.233 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.98 -66.88 0.48 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.5 -32.61 68.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -64.62 -61.98 1.87 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.0 110.256 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 744' ' ' SER . 20.6 m -47.24 -55.47 8.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.447 -0.783 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . 0.443 ' CB ' ' HE2' ' A' ' 800' ' ' LYS . . . -51.96 -37.76 54.15 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.094 -1.004 . . . . 0.0 109.361 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.78 -59.57 4.39 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 122.404 1.097 . . . . 0.0 108.446 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 815' ' ' ILE . 17.7 mt -50.41 -69.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.278 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' LEU . . . . . 0.458 ' CD1' ' CB ' ' A' ' 742' ' ' HIS . 14.7 tp -46.77 -46.94 20.87 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.689 -0.632 . . . . 0.0 111.041 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 796' ' ' PHE . 35.4 tt0 -55.42 -49.04 73.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.496 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -39.15 82.58 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.571 -0.706 . . . . 0.0 109.266 177.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' PHE . . . . . 0.522 ' CD1' ' NE2' ' A' ' 742' ' ' HIS . 66.8 t80 -67.34 -34.36 77.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.41 -0.806 . . . . 0.0 109.441 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' PHE . . . . . 0.549 ' CZ ' ' CD1' ' A' ' 824' ' ' ILE . 33.1 t80 -63.98 -53.96 41.98 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.306 -0.871 . . . . 0.0 109.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 830' ' ' ILE . 0.5 OUTLIER -48.93 -47.99 43.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.4 -0.813 . . . . 0.0 110.012 179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -35.23 69.27 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.402 178.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -80.33 -30.45 38.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 0.0 110.559 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ILE . . . . . 0.549 ' CD1' ' CZ ' ' A' ' 820' ' ' PHE . 25.0 mm -58.06 -50.26 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.085 -1.009 . . . . 0.0 109.36 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -23.03 3.87 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.396 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -73.62 -21.53 60.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.106 -0.996 . . . . 0.0 109.324 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ALA . . . . . . . . . . . . . . . -99.39 -27.62 13.66 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.833 . . . . 0.0 109.962 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLY . . . . . . . . . . . . . . . 88.2 33.74 10.38 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 788' ' ' PHE . 1.0 OUTLIER -91.73 -36.02 13.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -1.203 . . . . 0.0 110.673 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 821' ' ' PHE . 12.6 mt -75.59 -19.37 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.121 -0.987 . . . . 0.0 109.628 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -50.94 172.34 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -0.983 . . . . 0.0 110.519 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.317 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 5.1 ptm . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.239 0.542 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.5 t -130.75 151.99 50.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 0.0 110.563 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 826' ' ' GLU . 0.6 OUTLIER -103.22 131.84 49.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.263 -0.898 . . . . 0.0 110.299 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -162.51 70.5 2.14 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.186 -0.946 . . . . 0.0 110.65 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' PRO . . . . . 0.432 ' CD ' ' OG1' ' A' ' 731' ' ' THR . 86.0 Cg_endo -84.23 -162.48 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.772 1.406 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.22 51.99 0.31 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.346 -0.846 . . . . 0.0 109.78 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -156.77 167.64 14.07 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.485 -0.759 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.89 -58.57 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.698 1.368 . . . . 0.0 110.647 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 780' ' ' ARG . 0.1 OUTLIER -60.38 -46.04 91.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 110.354 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 722' ' ' PRO . 0.4 OUTLIER -61.77 -19.16 62.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.211 -0.93 . . . . 0.0 110.46 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 728' ' ' LEU . . . . . 0.434 ' O ' HG22 ' A' ' 731' ' ' THR . 3.9 tp -65.15 -36.94 85.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.952 . . . . 0.0 110.355 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 729' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 777' ' ' LEU . 1.6 t80 -51.06 -47.34 61.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.848 -1.157 . . . . 0.0 109.928 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 83.7 p -70.51 -26.73 63.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.404 -0.81 . . . . 0.0 110.753 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 732' ' ' LEU . 0.5 OUTLIER -81.0 -47.15 14.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.995 -1.066 . . . . 0.0 109.958 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 829' ' ' LEU . 53.8 mt -57.37 -39.73 76.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 108.9 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -69.52 -39.93 77.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 109.239 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -48.32 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.202 -0.936 . . . . 0.0 108.753 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 735' ' ' ILE . . . . . 0.74 ' O ' HG23 ' A' ' 739' ' ' VAL . 67.7 mt -56.91 -35.72 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 O-C-N 121.48 -0.762 . . . . 0.0 108.962 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 736' ' ' LEU . 0.4 OUTLIER -62.95 -50.3 71.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.523 -0.735 . . . . 0.0 109.125 177.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 737' ' ' GLN . . . . . 0.44 ' HA ' ' HG2' ' A' ' 740' ' ' LYS . 89.4 mm-40 -61.61 -34.03 74.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.545 -0.722 . . . . 0.0 110.001 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -76.73 -33.91 58.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' VAL . . . . . 0.768 ' O ' HD11 ' A' ' 816' ' ' LEU . 74.1 t -75.46 -49.13 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 745' ' ' ALA . 0.0 OUTLIER -64.49 -22.36 66.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.338 -0.852 . . . . 0.0 110.466 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 17.0 t -79.22 -21.8 45.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.0 110.414 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' HIS . . . . . 0.533 ' HB3' HD13 ' A' ' 816' ' ' LEU . 0.1 OUTLIER -53.83 163.61 0.7 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.94 . . . . 0.0 110.232 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.98 8.45 8.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.926 . . . . 0.0 111.279 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 747' ' ' PRO . 12.7 m -123.24 -5.08 8.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.853 -1.154 . . . . 0.0 111.34 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 740' ' ' LYS . . . -81.27 3.9 22.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.885 -1.134 . . . . 0.0 111.278 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' TRP . . . . . 0.578 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 69.9 p-90 -60.56 -27.7 3.59 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 120.854 -1.154 . . . . 0.0 112.513 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 12.6 Cg_endo -86.42 -1.0 8.36 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 N-CA-C 110.219 -0.724 . . . . 0.0 110.219 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 769' ' ' ASP . 7.2 m-85 -124.36 17.2 9.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.285 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 740' ' ' LYS . 1.0 OUTLIER -92.51 19.41 7.31 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.028 -1.045 . . . . 0.0 110.458 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . 0.427 ' HG3' ' HD3' ' A' ' 751' ' ' PRO . 0.0 OUTLIER -176.72 173.85 0.75 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.566 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.427 ' HD3' ' HG3' ' A' ' 750' ' ' GLU . 2.9 Cg_endo -82.71 135.59 7.96 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.949 1.5 . . . . 0.0 110.719 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 752' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 760' ' ' TYR . 28.3 m -53.22 173.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.694 -0.628 . . . . 0.0 110.525 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 753' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 757' ' ' ALA . 0.0 OUTLIER -117.11 -169.96 1.75 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.542 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -33.32 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.229 -0.92 . . . . 0.0 110.202 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.424 ' H ' HG22 ' A' ' 755' ' ' THR . 6.0 t -97.39 -24.66 15.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.62 -41.89 12.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 0.0 110.083 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 753' ' ' LYS . . . -71.1 130.4 88.16 Favored Pre-proline 0 C--N 1.303 -1.418 0 O-C-N 121.25 -0.906 . . . . 0.0 110.019 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.19 -35.7 43.78 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.452 1.238 . . . . 0.0 110.845 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 164.46 49.4 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' TYR . . . . . 0.434 ' CD2' HG11 ' A' ' 752' ' ' VAL . 17.7 m-85 -67.45 -19.88 65.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.207 -1.172 . . . . 0.0 110.308 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -3.47 32.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.42 -26.23 7.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.124 -0.985 . . . . 0.0 110.42 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 1.037 HG11 ' CD1' ' A' ' 802' ' ' TYR . 11.4 p -123.76 -22.51 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 111.206 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' ILE . . . . . 0.859 HG12 HG13 ' A' ' 763' ' ' VAL . 42.2 mm -132.13 76.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.989 -1.069 . . . . 0.0 110.117 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -53.93 52.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.303 -0.873 . . . . 0.0 110.925 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.42 88.39 29.93 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.13 -0.981 . . . . 0.0 110.983 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 764' ' ' ILE . 57.2 Cg_endo -75.18 -20.16 16.78 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.611 1.321 . . . . 0.0 110.458 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 768' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 795' ' ' VAL . 86.8 mmm 58.41 70.7 0.63 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.51 -0.744 . . . . 0.0 110.517 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 748' ' ' PHE . 38.7 m-20 -59.32 -162.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.247 -0.908 . . . . 0.0 109.914 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.412 HD11 HD21 ' A' ' 816' ' ' LEU . 54.7 mt -81.25 -0.56 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.081 -1.012 . . . . 0.0 110.827 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -40.22 7.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.917 -1.114 . . . . 0.0 110.726 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.46 -44.63 20.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.041 -1.037 . . . . 0.0 109.711 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 773' ' ' MET . . . . . 0.74 ' CE ' HD22 ' A' ' 792' ' ' LEU . 23.9 ptm -59.6 -35.87 75.18 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.174 -0.953 . . . . 0.0 109.324 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 50.6 p -68.37 -43.73 76.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.524 -0.735 . . . . 0.0 109.286 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' GLU . . . . . 0.446 ' HA ' ' HG3' ' A' ' 778' ' ' LYS . 43.2 mm-40 -54.75 -34.98 63.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 110.27 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 781' ' ' TYR . 0.7 OUTLIER -80.21 -40.33 27.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.226 -0.921 . . . . 0.0 109.149 178.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 777' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 777' ' ' LEU . 1.6 tt -61.32 -16.9 50.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.67 -0.644 . . . . 0.0 110.311 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LYS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 729' ' ' TYR . 0.2 OUTLIER -52.45 -22.2 4.51 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.079 -1.013 . . . . 0.0 110.185 -179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.414 ' O ' ' HD3' ' A' ' 780' ' ' ARG . 0.5 OUTLIER -124.85 -88.78 0.59 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.387 -0.82 . . . . 0.0 110.312 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ARG . . . . . 0.438 ' O ' HG12 ' A' ' 783' ' ' VAL . 3.3 mmt180 -147.33 9.43 0.95 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.341 -1.474 . . . . 0.0 110.824 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' TYR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 776' ' ' ARG . 10.2 m-85 -60.51 -36.53 78.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 110.561 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 782' ' ' TYR . . . . . 0.475 ' CE2' ' OD2' ' A' ' 791' ' ' ASP . 37.0 m-85 -120.11 90.83 3.41 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.241 -0.912 . . . . 0.0 110.17 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 783' ' ' VAL . 12.0 p -168.32 64.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.552 -0.718 . . . . 0.0 110.486 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 786' ' ' LYS . 5.7 t -159.07 49.51 0.34 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 56.43 -85.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.674 -0.641 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 784' ' ' SER . 6.1 tppt? -58.08 -27.66 63.87 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 110.861 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 787' ' ' LEU . 0.9 OUTLIER -71.98 -46.94 55.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.013 -1.054 . . . . 0.0 110.828 -179.034 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 788' ' ' PHE . . . . . 0.758 ' CG ' HD22 ' A' ' 732' ' ' LEU . 31.9 t80 -72.83 -33.47 66.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.782 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 829' ' ' LEU . 0.0 OUTLIER -69.59 -54.3 14.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.692 -0.63 . . . . 0.0 110.24 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.64 76.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 795' ' ' VAL . 11.5 t0 -57.32 -53.48 57.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.86 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' LEU . . . . . 1.008 HD12 ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.03 -51.33 56.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.061 -1.024 . . . . 0.0 109.594 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -31.52 46.56 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.497 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 791' ' ' ASP . 0.1 OUTLIER -65.49 -42.62 91.98 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.458 -0.776 . . . . 0.0 109.066 177.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 795' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 768' ' ' MET . 40.6 t -59.58 -55.71 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.359 -0.838 . . . . 0.0 109.817 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 1.008 ' CE2' HD12 ' A' ' 792' ' ' LEU . 25.5 m-85 -62.33 -60.53 3.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.375 -0.828 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -68.58 0.16 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 0.0 111.069 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ASN . . . . . 0.669 ' HB3' HD12 ' A' ' 764' ' ' ILE . 2.0 m120 -46.9 -44.24 19.55 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.254 -0.904 . . . . 0.0 111.213 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' CYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 803' ' ' ASN . 11.1 m -61.18 -48.16 82.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 110.55 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LYS . . . . . 0.53 ' CE ' ' HB1' ' A' ' 813' ' ' ALA . 48.4 mttt -68.18 -37.11 80.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.178 -0.952 . . . . 0.0 110.694 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -49.1 -55.67 11.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.867 . . . . 0.0 111.086 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' TYR . . . . . 1.037 ' CD1' HG11 ' A' ' 763' ' ' VAL . 2.1 t80 -91.87 26.47 2.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.094 -1.004 . . . . 0.0 110.768 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ASN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 804' ' ' PRO . 51.0 m-20 -131.88 103.57 14.39 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.201 -0.937 . . . . 0.0 110.149 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 803' ' ' ASN . 12.4 Cg_endo -60.07 -178.08 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.558 1.294 . . . . 0.0 110.282 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 804' ' ' PRO . 12.1 Cg_exo -67.36 62.49 0.74 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.778 1.41 . . . . 0.0 110.556 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 804' ' ' PRO . 1.4 tt0 -57.12 -85.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.295 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 -49.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.086 -1.009 . . . . 0.0 109.753 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -113.61 -19.06 11.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 110.233 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.98 -66.88 0.48 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.5 -32.61 68.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 814' ' ' ASN . 3.1 mttm -64.62 -61.98 1.87 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.0 110.256 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 744' ' ' SER . 20.6 m -47.24 -55.47 8.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.447 -0.783 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ALA . . . . . 0.53 ' HB1' ' CE ' ' A' ' 800' ' ' LYS . . . -51.96 -37.76 54.15 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.094 -1.004 . . . . 0.0 109.361 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 811' ' ' LYS . 1.1 t-20 -63.78 -59.57 4.39 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 122.404 1.097 . . . . 0.0 108.446 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 17.7 mt -50.41 -69.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.278 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' LEU . . . . . 0.768 HD11 ' O ' ' A' ' 739' ' ' VAL . 14.7 tp -46.77 -46.94 20.87 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.689 -0.632 . . . . 0.0 111.041 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLU . . . . . 0.457 ' HA ' ' CE2' ' A' ' 796' ' ' PHE . 35.4 tt0 -55.42 -49.04 73.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.496 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -39.15 82.58 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.571 -0.706 . . . . 0.0 109.266 177.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' PHE . . . . . 0.522 ' CD1' ' NE2' ' A' ' 742' ' ' HIS . 66.8 t80 -67.34 -34.36 77.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.41 -0.806 . . . . 0.0 109.441 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' PHE . . . . . 1.081 ' CZ ' HD11 ' A' ' 824' ' ' ILE . 33.1 t80 -63.98 -53.96 41.98 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.306 -0.871 . . . . 0.0 109.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.93 -47.99 43.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.4 -0.813 . . . . 0.0 110.012 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -35.23 69.27 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.402 178.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.529 ' HB3' HG23 ' A' ' 735' ' ' ILE . 23.4 mmtt -80.33 -30.45 38.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 0.0 110.559 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ILE . . . . . 1.081 HD11 ' CZ ' ' A' ' 820' ' ' PHE . 25.0 mm -58.06 -50.26 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.085 -1.009 . . . . 0.0 109.36 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -23.03 3.87 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.396 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 720' ' ' LYS . 62.2 mm-40 -73.62 -21.53 60.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.106 -0.996 . . . . 0.0 109.324 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ALA . . . . . 0.538 ' HB2' HD11 ' A' ' 735' ' ' ILE . . . -99.39 -27.62 13.66 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.833 . . . . 0.0 109.962 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLY . . . . . 0.444 ' C ' HD23 ' A' ' 829' ' ' LEU . . . 88.2 33.74 10.38 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 1.07 HD11 HD21 ' A' ' 732' ' ' LEU . 1.0 OUTLIER -91.73 -36.02 13.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -1.203 . . . . 0.0 110.673 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ILE . . . . . 0.866 HG13 HG21 ' A' ' 824' ' ' ILE . 12.6 mt -75.59 -19.37 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.121 -0.987 . . . . 0.0 109.628 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 832' ' ' LYS . 5.2 t0 -50.94 172.34 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -0.983 . . . . 0.0 110.519 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 831' ' ' ASP . 16.5 mtpt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' MET . . . . . . . . . . . . . 5.1 ptm . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.239 0.542 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.5 t -130.75 151.99 50.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 0.0 110.563 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 826' ' ' GLU . 0.6 OUTLIER -103.22 131.84 49.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.263 -0.898 . . . . 0.0 110.299 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -162.51 70.5 2.14 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.186 -0.946 . . . . 0.0 110.65 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . 0.432 ' CD ' ' OG1' ' A' ' 731' ' ' THR . 86.0 Cg_endo -84.23 -162.48 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.772 1.406 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.22 51.99 0.31 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.346 -0.846 . . . . 0.0 109.78 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -156.77 167.64 14.07 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.485 -0.759 . . . . 0.0 110.008 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.89 -58.57 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.698 1.368 . . . . 0.0 110.647 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 780' ' ' ARG . 0.1 OUTLIER -60.38 -46.04 91.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 110.354 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 722' ' ' PRO . 0.0 OUTLIER -61.77 -19.16 62.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.211 -0.93 . . . . 0.0 110.46 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' LEU . . . . . 0.434 ' O ' HG22 ' A' ' 731' ' ' THR . 3.9 tp -65.15 -36.94 85.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.178 -0.952 . . . . 0.0 110.355 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . 0.476 ' CE1' ' O ' ' A' ' 777' ' ' LEU . 1.6 t80 -51.06 -47.34 61.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.848 -1.157 . . . . 0.0 109.928 178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' SER . . . . . . . . . . . . . 83.7 p -70.51 -26.73 63.72 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.404 -0.81 . . . . 0.0 110.753 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.443 ' CG2' ' N ' ' A' ' 732' ' ' LEU . 0.5 OUTLIER -81.0 -47.15 14.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.995 -1.066 . . . . 0.0 109.958 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 829' ' ' LEU . 53.8 mt -57.37 -39.73 76.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 108.9 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -69.52 -39.93 77.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 109.239 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.94 -48.32 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.202 -0.936 . . . . 0.0 108.753 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' ILE . . . . . 0.74 ' O ' HG23 ' A' ' 739' ' ' VAL . 67.7 mt -56.91 -35.72 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 O-C-N 121.48 -0.762 . . . . 0.0 108.962 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 736' ' ' LEU . 0.4 OUTLIER -62.95 -50.3 71.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.523 -0.735 . . . . 0.0 109.125 177.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' GLN . . . . . 0.44 ' HA ' ' HG2' ' A' ' 740' ' ' LYS . 30.2 mm100 -61.61 -34.03 74.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.545 -0.722 . . . . 0.0 110.001 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -76.73 -33.91 58.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.39 -0.819 . . . . 0.0 110.163 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' VAL . . . . . 0.768 ' O ' HD11 ' A' ' 816' ' ' LEU . 74.1 t -75.46 -49.13 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 745' ' ' ALA . 0.0 OUTLIER -64.49 -22.36 66.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.338 -0.852 . . . . 0.0 110.466 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 17.0 t -79.22 -21.8 45.74 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.0 110.414 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' HIS . . . . . 0.533 ' HB3' HD13 ' A' ' 816' ' ' LEU . 0.1 OUTLIER -53.83 163.61 0.7 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.94 . . . . 0.0 110.232 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.98 8.45 8.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.926 . . . . 0.0 111.279 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 747' ' ' PRO . 12.7 m -123.24 -5.08 8.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.853 -1.154 . . . . 0.0 111.34 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 740' ' ' LYS . . . -81.27 3.9 22.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.885 -1.134 . . . . 0.0 111.278 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' TRP . . . . . 0.578 ' N ' ' CD ' ' A' ' 747' ' ' PRO . 69.9 p-90 -60.56 -27.7 3.59 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 120.854 -1.154 . . . . 0.0 112.513 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 746' ' ' TRP . 12.6 Cg_endo -86.42 -1.0 8.36 Favored 'Trans proline' 0 C--N 1.326 -0.643 0 N-CA-C 110.219 -0.724 . . . . 0.0 110.219 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 769' ' ' ASP . 7.2 m-85 -124.36 17.2 9.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.285 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 740' ' ' LYS . 1.0 OUTLIER -92.51 19.41 7.31 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.028 -1.045 . . . . 0.0 110.458 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . 0.427 ' HG3' ' HD3' ' A' ' 751' ' ' PRO . 0.0 OUTLIER -176.72 173.85 0.75 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.174 -0.954 . . . . 0.0 110.566 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.427 ' HD3' ' HG3' ' A' ' 750' ' ' GLU . 2.9 Cg_endo -82.71 135.59 7.96 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.949 1.5 . . . . 0.0 110.719 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 760' ' ' TYR . 28.3 m -53.22 173.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.694 -0.628 . . . . 0.0 110.525 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 757' ' ' ALA . 0.0 OUTLIER -117.11 -169.96 1.75 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.542 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -33.32 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.229 -0.92 . . . . 0.0 110.202 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.424 ' H ' HG22 ' A' ' 755' ' ' THR . 6.0 t -97.39 -24.66 15.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -88.62 -41.89 12.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.865 . . . . 0.0 110.083 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 753' ' ' LYS . . . -71.1 130.4 88.16 Favored Pre-proline 0 C--N 1.303 -1.418 0 O-C-N 121.25 -0.906 . . . . 0.0 110.019 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.19 -35.7 43.78 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.452 1.238 . . . . 0.0 110.845 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . 164.46 49.4 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' TYR . . . . . 0.434 ' CD2' HG11 ' A' ' 752' ' ' VAL . 17.7 m-85 -67.45 -19.88 65.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.207 -1.172 . . . . 0.0 110.308 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -3.47 32.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.42 -26.23 7.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.124 -0.985 . . . . 0.0 110.42 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 1.037 HG11 ' CD1' ' A' ' 802' ' ' TYR . 11.4 p -123.76 -22.51 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 111.206 -179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' ILE . . . . . 0.859 HG12 HG13 ' A' ' 763' ' ' VAL . 42.2 mm -132.13 76.75 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.989 -1.069 . . . . 0.0 110.117 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -53.93 52.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.303 -0.873 . . . . 0.0 110.925 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.42 88.39 29.93 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.13 -0.981 . . . . 0.0 110.983 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 764' ' ' ILE . 57.2 Cg_endo -75.18 -20.16 16.78 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.611 1.321 . . . . 0.0 110.458 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 795' ' ' VAL . 86.8 mmm 58.41 70.7 0.63 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.51 -0.744 . . . . 0.0 110.517 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 748' ' ' PHE . 38.7 m-20 -59.32 -162.26 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.247 -0.908 . . . . 0.0 109.914 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.412 HD11 HD21 ' A' ' 816' ' ' LEU . 54.7 mt -81.25 -0.56 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.081 -1.012 . . . . 0.0 110.827 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -40.22 7.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.917 -1.114 . . . . 0.0 110.726 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.46 -44.63 20.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.041 -1.037 . . . . 0.0 109.711 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' MET . . . . . 0.74 ' CE ' HD22 ' A' ' 792' ' ' LEU . 23.9 ptm -59.6 -35.87 75.18 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.174 -0.953 . . . . 0.0 109.324 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' SER . . . . . . . . . . . . . 50.6 p -68.37 -43.73 76.75 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.524 -0.735 . . . . 0.0 109.286 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . 0.446 ' HA ' ' HG3' ' A' ' 778' ' ' LYS . 43.2 mm-40 -54.75 -34.98 63.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 110.27 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 781' ' ' TYR . 0.7 OUTLIER -80.21 -40.33 27.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.226 -0.921 . . . . 0.0 109.149 178.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 777' ' ' LEU . 1.6 tt -61.32 -16.9 50.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.67 -0.644 . . . . 0.0 110.311 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LYS . . . . . 0.467 ' O ' ' CZ ' ' A' ' 729' ' ' TYR . 0.2 OUTLIER -52.45 -22.2 4.51 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.079 -1.013 . . . . 0.0 110.185 -179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.414 ' O ' ' HD3' ' A' ' 780' ' ' ARG . 0.5 OUTLIER -124.85 -88.78 0.59 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.387 -0.82 . . . . 0.0 110.312 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ARG . . . . . 0.438 ' O ' HG12 ' A' ' 783' ' ' VAL . 3.3 mmt180 -147.33 9.43 0.95 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.341 -1.474 . . . . 0.0 110.824 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' TYR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 776' ' ' ARG . 10.2 m-85 -60.51 -36.53 78.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 110.561 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' TYR . . . . . 0.475 ' CE2' ' OD2' ' A' ' 791' ' ' ASP . 37.0 m-85 -120.11 90.83 3.41 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.241 -0.912 . . . . 0.0 110.17 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 783' ' ' VAL . 12.0 p -168.32 64.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.552 -0.718 . . . . 0.0 110.486 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 786' ' ' LYS . 5.7 t -159.07 49.51 0.34 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 56.43 -85.81 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.674 -0.641 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 784' ' ' SER . 6.1 tppt? -58.08 -27.66 63.87 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 110.861 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 787' ' ' LEU . 0.9 OUTLIER -71.98 -46.94 55.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.013 -1.054 . . . . 0.0 110.828 -179.034 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' PHE . . . . . 0.758 ' CG ' HD22 ' A' ' 732' ' ' LEU . 31.9 t80 -72.83 -33.47 66.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.782 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 829' ' ' LEU . 0.0 OUTLIER -69.59 -54.3 14.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.692 -0.63 . . . . 0.0 110.24 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.64 76.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.234 -0.916 . . . . 0.0 109.996 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 795' ' ' VAL . 11.5 t0 -57.32 -53.48 57.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.86 . . . . 0.0 110.323 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' LEU . . . . . 1.008 HD12 ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.03 -51.33 56.12 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.061 -1.024 . . . . 0.0 109.594 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -31.52 46.56 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.256 -0.902 . . . . 0.0 109.497 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 791' ' ' ASP . 0.1 OUTLIER -65.49 -42.62 91.98 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.458 -0.776 . . . . 0.0 109.066 177.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 768' ' ' MET . 40.6 t -59.58 -55.71 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.359 -0.838 . . . . 0.0 109.817 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 1.008 ' CE2' HD12 ' A' ' 792' ' ' LEU . 25.5 m-85 -62.33 -60.53 3.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.375 -0.828 . . . . 0.0 110.442 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' THR . . . . . . . . . . . . . 54.6 m -50.04 -68.58 0.16 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 0.0 111.069 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ASN . . . . . 0.669 ' HB3' HD12 ' A' ' 764' ' ' ILE . 2.0 m120 -46.9 -44.24 19.55 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.254 -0.904 . . . . 0.0 111.213 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' CYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 803' ' ' ASN . 11.1 m -61.18 -48.16 82.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.122 -0.986 . . . . 0.0 110.55 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . 0.53 ' CE ' ' HB1' ' A' ' 813' ' ' ALA . 48.4 mttt -68.18 -37.11 80.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.178 -0.952 . . . . 0.0 110.694 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -49.1 -55.67 11.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.867 . . . . 0.0 111.086 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' TYR . . . . . 1.037 ' CD1' HG11 ' A' ' 763' ' ' VAL . 2.1 t80 -91.87 26.47 2.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.094 -1.004 . . . . 0.0 110.768 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ASN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 804' ' ' PRO . 51.0 m-20 -131.88 103.57 14.39 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.201 -0.937 . . . . 0.0 110.149 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 803' ' ' ASN . 12.4 Cg_endo -60.07 -178.08 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.558 1.294 . . . . 0.0 110.282 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 804' ' ' PRO . 12.1 Cg_exo -67.36 62.49 0.74 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.778 1.41 . . . . 0.0 110.556 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 804' ' ' PRO . 1.4 tt0 -57.12 -85.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.295 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 -49.03 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.086 -1.009 . . . . 0.0 109.753 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -113.61 -19.06 11.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 110.233 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.98 -66.88 0.48 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 110.188 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.5 -32.61 68.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.185 -0.947 . . . . 0.0 109.98 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 814' ' ' ASN . 3.1 mttm -64.62 -61.98 1.87 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.0 110.256 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 744' ' ' SER . 20.6 m -47.24 -55.47 8.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.447 -0.783 . . . . 0.0 110.724 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . 0.53 ' HB1' ' CE ' ' A' ' 800' ' ' LYS . . . -51.96 -37.76 54.15 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.094 -1.004 . . . . 0.0 109.361 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 811' ' ' LYS . 1.1 t-20 -63.78 -59.57 4.39 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 122.404 1.097 . . . . 0.0 108.446 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' ILE . . . . . . . . . . . . . 17.7 mt -50.41 -69.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.278 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' LEU . . . . . 0.768 HD11 ' O ' ' A' ' 739' ' ' VAL . 14.7 tp -46.77 -46.94 20.87 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.689 -0.632 . . . . 0.0 111.041 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLU . . . . . 0.457 ' HA ' ' CE2' ' A' ' 796' ' ' PHE . 35.4 tt0 -55.42 -49.04 73.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.496 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -39.15 82.58 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.571 -0.706 . . . . 0.0 109.266 177.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' PHE . . . . . 0.522 ' CD1' ' NE2' ' A' ' 742' ' ' HIS . 66.8 t80 -67.34 -34.36 77.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.41 -0.806 . . . . 0.0 109.441 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' PHE . . . . . 1.081 ' CZ ' HD11 ' A' ' 824' ' ' ILE . 33.1 t80 -63.98 -53.96 41.98 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.306 -0.871 . . . . 0.0 109.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.93 -47.99 43.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.4 -0.813 . . . . 0.0 110.012 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -35.23 69.27 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.402 178.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.529 ' HB3' HG23 ' A' ' 735' ' ' ILE . 23.4 mmtt -80.33 -30.45 38.11 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.856 . . . . 0.0 110.559 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ILE . . . . . 1.081 HD11 ' CZ ' ' A' ' 820' ' ' PHE . 25.0 mm -58.06 -50.26 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.085 -1.009 . . . . 0.0 109.36 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -23.03 3.87 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.396 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 720' ' ' LYS . 62.2 mm-40 -73.62 -21.53 60.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.106 -0.996 . . . . 0.0 109.324 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ALA . . . . . 0.538 ' HB2' HD11 ' A' ' 735' ' ' ILE . . . -99.39 -27.62 13.66 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.833 . . . . 0.0 109.962 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLY . . . . . 0.444 ' C ' HD23 ' A' ' 829' ' ' LEU . . . 88.2 33.74 10.38 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 1.07 HD11 HD21 ' A' ' 732' ' ' LEU . 1.0 OUTLIER -91.73 -36.02 13.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -1.203 . . . . 0.0 110.673 -179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ILE . . . . . 0.866 HG13 HG21 ' A' ' 824' ' ' ILE . 12.6 mt -75.59 -19.37 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.121 -0.987 . . . . 0.0 109.628 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 832' ' ' LYS . 5.2 t0 -50.94 172.34 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -0.983 . . . . 0.0 110.519 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 831' ' ' ASP . 16.5 mtpt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 stop_ save_